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Indolecarboxylic acids and derivatives
Description:
Compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
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tert-Butyl 6-chloro-3-(4，4，5，5-tetramethyl-1，3，2-dioxaborolan-2-yl)-1H-indole-1-carboxylateCas Number: 1218790-24-9 Compound CID: 53217199Formula: C19H25BClNO4 Molecular Weight: 377.68IUPAC Name: tert-butyl 6-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylateSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC(=C3)Cl)C(=O)OC(C)(C)CInChIKey: JFNOJLRXOALBQW-UHFFFAOYSA-NInChI: InChI=1S/C19H25BClNO4/c1-17(2,3)24-16(23)22-11-14(13-9-8-12(21)10-15(13)22)20-25-18(4,5)19(6,7)26-20/h8-11H,1-7H3 -
tert-Butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1H-indole-3-carboxylateFormula: C25H27IN2O2 Molecular Weight: 514.4IUPAC Name: tert-butyl 6-cyano-2-[2-(4-ethyl-3-iodophenyl)propan-2-yl]-1H-indole-3-carboxylateSMILES: CCC1=C(C=C(C=C1)C(C)(C)C2=C(C3=C(N2)C=C(C=C3)C#N)C(=O)OC(C)(C)C)IInChIKey: QJJFMODIDDQXRV-UHFFFAOYSA-NInChI: InChI=1S/C25H27IN2O2/c1-7-16-9-10-17(13-19(16)26)25(5,6)22-21(23(29)30-24(2,3)4)18-11-8-15(14-27)12-20(18)28-22/h8-13,28H,7H2,1-6H3
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tert-Butyl 6-bromoindoline-1-carboxylateCas Number: 214614-97-8 Compound CID: 22038386Formula: C13H16BrNO2 Molecular Weight: 298.18IUPAC Name: tert-butyl 6-bromo-2,3-dihydroindole-1-carboxylateSMILES: CC(C)(C)OC(=O)N1CCC2=C1C=C(C=C2)BrInChIKey: GZRAIVDYVLYXJQ-UHFFFAOYSA-NInChI: InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-5,8H,6-7H2,1-3H3
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tert-Butyl 6-formyl-1H-indole-1-carboxylateCas Number: 127956-28-9 Compound CID: 14616867Formula: C14H15NO3 Molecular Weight: 245.28IUPAC Name: tert-butyl 6-formylindole-1-carboxylateSMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)C=OInChIKey: ZJOBUJIAVBTRMD-UHFFFAOYSA-NInChI: InChI=1S/C14H15NO3/c1-14(2,3)18-13(17)15-7-6-11-5-4-10(9-16)8-12(11)15/h4-9H,1-3H3
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tert-Butyl 5-bromo-3-(4，4，5，5-tetramethyl-1，3，2-dioxaborolan-2-yl)-1H-indole-1-carboxylateCas Number: 1024677-85-7 Compound CID: 53217221Formula: C19H25BBrNO4 Molecular Weight: 422.14IUPAC Name: tert-butyl 5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylateSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=C(C=C3)Br)C(=O)OC(C)(C)CInChIKey: ZMQSMCBTNUUULC-UHFFFAOYSA-NInChI: InChI=1S/C19H25BBrNO4/c1-17(2,3)24-16(23)22-11-14(13-10-12(21)8-9-15(13)22)20-25-18(4,5)19(6,7)26-20/h8-11H,1-7H3
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tert-Butyl 5-bromo-1H-indole-3-carboxylateCas Number: 1033265-51-8 Compound CID: 24862149Formula: C13H14BrNO2 Molecular Weight: 296.16IUPAC Name: tert-butyl 5-bromo-1H-indole-3-carboxylateSMILES: CC(C)(C)OC(=O)C1=CNC2=C1C=C(C=C2)BrInChIKey: FXCLXRQHVKTSSR-UHFFFAOYSA-NInChI: InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)10-7-15-11-5-4-8(14)6-9(10)11/h4-7,15H,1-3H3
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tert-Butyl 5-fluoro-1H-indole-1-carboxylateCas Number: 129822-47-5 Compound CID: 14710389Formula: C13H14FNO2 Molecular Weight: 235.25IUPAC Name: tert-butyl 5-fluoroindole-1-carboxylateSMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)FInChIKey: PCZRVRIBJPHEBB-UHFFFAOYSA-NInChI: InChI=1S/C13H14FNO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,1-3H3
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tert-Butyl 5-(benzyloxy)-3-(hydroxymethyl)-1H-indole-1-carboxylateCas Number: 914349-14-7 Compound CID: 40428541Formula: C21H23NO4 Molecular Weight: 353.42IUPAC Name: tert-butyl 3-(hydroxymethyl)-5-phenylmethoxyindole-1-carboxylateSMILES: CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)OCC3=CC=CC=C3)COInChIKey: ZFIAACLRYAZNPM-UHFFFAOYSA-NInChI: InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-12-16(13-23)18-11-17(9-10-19(18)22)25-14-15-7-5-4-6-8-15/h4-12,23H,13-14H2,1-3H3
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tert-Butyl 5-(aminomethyl)indoline-1-carboxylateCas Number: 885270-00-8 Compound CID: 53408093Formula: C14H20N2O2 Molecular Weight: 248.32IUPAC Name: tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylateSMILES: CC(C)(C)OC(=O)N1CCC2=C1C=CC(=C2)CNInChIKey: GTEVTJRBLUFOKF-UHFFFAOYSA-NInChI: InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-11-8-10(9-15)4-5-12(11)16/h4-5,8H,6-7,9,15H2,1-3H3
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tert-Butyl 4-hydroxy-1H-indole-1-carboxylateCas Number: 879093-22-8 Compound CID: 24728909IUPAC Name: tert-butyl 4-hydroxyindole-1-carboxylateSMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2OInChIKey: VQMNWIMYFHHFMC-UHFFFAOYSA-NInChI: InChI=1S/C13H15NO3/c1-13(2,3)17-12(16)14-8-7-9-10(14)5-4-6-11(9)15/h4-8,15H,1-3H3
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tert-Butyl 4-methoxy-1H-indole-1-carboxylateCas Number: 1093759-59-1 Compound CID: 49758848Formula: C14H17NO3 Molecular Weight: 247.29IUPAC Name: tert-butyl 4-methoxyindole-1-carboxylateSMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2OCInChIKey: DNCPOYDMSDZLSB-UHFFFAOYSA-NInChI: InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-9-8-10-11(15)6-5-7-12(10)17-4/h5-9H,1-4H3
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tert-Butyl 4-bromo-3-(hydroxymethyl)-1H-indole-1-carboxylateCas Number: 914349-05-6 Compound CID: 40428531Formula: C14H16BrNO3 Molecular Weight: 326.2IUPAC Name: tert-butyl 4-bromo-3-(hydroxymethyl)indole-1-carboxylateSMILES: CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2Br)COInChIKey: QWJQFTZLGZCFNQ-UHFFFAOYSA-NInChI: InChI=1S/C14H16BrNO3/c1-14(2,3)19-13(18)16-7-9(8-17)12-10(15)5-4-6-11(12)16/h4-7,17H,8H2,1-3H3
