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Indolecarboxylic acids
Description:
Compounds containing a carboxylic acid group linked to an indole.
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1-tert-Butyl 6-methyl 1H-indole-1，6-dicarboxylateCas Number: 354587-63-6Formula: C15H17NO4 Molecular Weight: 275.3IUPAC Name: 1-O-tert-butyl 6-O-methyl indole-1,6-dicarboxylateSMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)C(=O)OCInChIKey: IYYAAIGPQOLNLY-UHFFFAOYSA-NInChI: InChI=1S/C15H17NO4/c1-15(2,3)20-14(18)16-8-7-10-5-6-11(9-12(10)16)13(17)19-4/h5-9H,1-4H3 -
N-Boc-5-HydroxyindolineCas Number: 170147-76-9Formula: C13H17NO3 Molecular Weight: 235.28IUPAC Name: tert-butyl 5-hydroxy-2,3-dihydroindole-1-carboxylateSMILES: CC(C)(C)OC(=O)N1CCC2=C1C=CC(=C2)OInChIKey: BKEDNSDALWZCGF-UHFFFAOYSA-NInChI: InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-7-6-9-8-10(15)4-5-11(9)14/h4-5,8,15H,6-7H2,1-3H3Synonyms: tert-butyl 5-hydroxyindoline-1-carboxylate | 5-hydroxy-2,3-dihydroindole-1-carboxylic acid tert-butyl ester -
N-Boc-4-bromoindolineCas Number: 885272-46-8 Compound CID: 51650745IUPAC Name: tert-butyl 4-bromo-2,3-dihydroindole-1-carboxylateSMILES: CC(C)(C)OC(=O)N1CCC2=C1C=CC=C2BrInChIKey: DUZIJTYKDFFQDJ-UHFFFAOYSA-NInChI: InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-6H,7-8H2,1-3H3Synonyms: tert-Butyl 4-bromoindoline-1-carboxylate -
tert-butyl 5-formylindole-1-carboxylateCas Number: 279256-09-6 Compound CID: 11172622Formula: C14H15NO3 Molecular Weight: 245.28IUPAC Name: tert-butyl 5-formylindole-1-carboxylateSMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)C=OInChIKey: KDMYWOVAHWERQN-UHFFFAOYSA-NInChI: InChI=1S/C14H15NO3/c1-14(2,3)18-13(17)15-7-6-11-8-10(9-16)4-5-12(11)15/h4-9H,1-3H3
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methyl 6-chloro-1H-indole-5-carboxylateCas Number: 162100-83-6 Compound CID: 10727132Formula: C10H8ClNO2 Molecular Weight: 209.63IUPAC Name: methyl 6-chloro-1H-indole-5-carboxylateSMILES: COC(=O)C1=C(C=C2C(=C1)C=CN2)ClInChIKey: IGOUVTSYCXABHI-UHFFFAOYSA-NInChI: InChI=1S/C10H8ClNO2/c1-14-10(13)7-4-6-2-3-12-9(6)5-8(7)11/h2-5,12H,1H3
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methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate hydrochlorideCas Number: 1240523-96-9 Compound CID: 72207945Formula: C10H10BrNO2.ClH Molecular Weight: 292.56IUPAC Name: methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;hydrochlorideSMILES: COC(=O)C1=C2CCNC2=CC(=C1)Br.ClInChIKey: MBLUGEKCWMZYCM-UHFFFAOYSA-NInChI: InChI=1S/C10H10BrNO2.ClH/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9;/h4-5,12H,2-3H2,1H3;1H
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methyl 7-chloro-1H-indole-6-carboxylateCas Number: 1266114-30-0 Compound CID: 21133926Formula: C10H8ClNO2 Molecular Weight: 209.63SMILES: COC(=O)C1=C(C2=C(C=C1)C=CN2)ClInChIKey: ZQBUSCBNCSXBAK-UHFFFAOYSA-NInChI: InChI=1S/C10H8ClNO2/c1-14-10(13)7-3-2-6-4-5-12-9(6)8(7)11/h2-5,12H,1H3
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methyl 7-chloro-1H-indole-5-carboxylateCas Number: 256936-02-4 Compound CID: 53863223Formula: C10H8ClNO2 Molecular Weight: 209.63IUPAC Name: methyl 7-chloro-1H-indole-5-carboxylateSMILES: COC(=O)C1=CC(=C2C(=C1)C=CN2)ClInChIKey: GXXVVVAPNVMAGE-UHFFFAOYSA-NInChI: InChI=1S/C10H8ClNO2/c1-14-10(13)7-4-6-2-3-12-9(6)8(11)5-7/h2-5,12H,1H3
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methyl 3-bromo-1-methyl-indole-6-carboxylateCas Number: 1186663-45-5 Compound CID: 53429640Formula: C11H10BrNO2 Molecular Weight: 268.11IUPAC Name: methyl 3-bromo-1-methylindole-6-carboxylateSMILES: CN1C=C(C2=C1C=C(C=C2)C(=O)OC)BrInChIKey: BNUJUFJNYWGDTC-UHFFFAOYSA-NInChI: InChI=1S/C11H10BrNO2/c1-13-6-9(12)8-4-3-7(5-10(8)13)11(14)15-2/h3-6H,1-2H3
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Ethyl 1H-indole-6-carboxylateCas Number: 50820-64-9 Compound CID: 15205372Formula: C11H11NO2 Molecular Weight: 189.21IUPAC Name: ethyl 1H-indole-6-carboxylateSMILES: CCOC(=O)C1=CC2=C(C=C1)C=CN2InChIKey: MHAKZTRHBLCYKV-UHFFFAOYSA-NInChI: InChI=1S/C11H11NO2/c1-2-14-11(13)9-4-3-8-5-6-12-10(8)7-9/h3-7,12H,2H2,1H3Synonyms: Ethyl indole-6-carboxylate | 1H-indole-6-carboxylic acid ethyl ester
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7-bromo-1H-indole-6-carboxylic acidCas Number: 1360921-60-3 Compound CID: 76846842Formula: C9H6BrNO2 Molecular Weight: 240.05IUPAC Name: 7-bromo-1H-indole-6-carboxylic acidSMILES: C1=CC(=C(C2=C1C=CN2)Br)C(=O)OInChIKey: ZGHKVOQTYMASHH-UHFFFAOYSA-NInChI: InChI=1S/C9H6BrNO2/c10-7-6(9(12)13)2-1-5-3-4-11-8(5)7/h1-4,11H,(H,12,13)
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5-fluoro-1H-indole-6-carboxylic acidCas Number: 908600-74-8 Compound CID: 11672765IUPAC Name: 5-fluoro-1H-indole-6-carboxylic acidSMILES: C1=CNC2=CC(=C(C=C21)F)C(=O)OInChIKey: WRWGWOQVFRKLAB-UHFFFAOYSA-NInChI: InChI=1S/C9H6FNO2/c10-7-3-5-1-2-11-8(5)4-6(7)9(12)13/h1-4,11H,(H,12,13)
