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Indolecarboxylic acids
Description:
Compounds containing a carboxylic acid group linked to an indole.
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(1-(tert-Butoxycarbonyl)-4-methoxy-1H-indol-2-yl)boronic acidCas Number: 1000068-23-4 Compound CID: 56923809Formula: C14H18BNO5 Molecular Weight: 291.11IUPAC Name: [4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acidSMILES: B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC=C2OC)(O)OInChIKey: BEXQWPHMBFKSLF-UHFFFAOYSA-NInChI: InChI=1S/C14H18BNO5/c1-14(2,3)21-13(17)16-10-6-5-7-11(20-4)9(10)8-12(16)15(18)19/h5-8,18-19H,1-4H3 -
(1-(tert-Butoxycarbonyl)-7-(methoxycarbonyl)-1H-indol-2-yl)boronic acidCas Number: 953411-05-7 Compound CID: 46739219Formula: C15H18BNO6 Molecular Weight: 319.12IUPAC Name: [7-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acidSMILES: B(C1=CC2=C(N1C(=O)OC(C)(C)C)C(=CC=C2)C(=O)OC)(O)OInChIKey: DUYWVUSQQWEWAZ-UHFFFAOYSA-NInChI: InChI=1S/C15H18BNO6/c1-15(2,3)23-14(19)17-11(16(20)21)8-9-6-5-7-10(12(9)17)13(18)22-4/h5-8,20-21H,1-4H3
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(1-(tert-Butoxycarbonyl)-6-chloro-1H-indol-2-yl)boronic acidCas Number: 352359-22-9 Compound CID: 44119151Formula: C13H15BClNO4 Molecular Weight: 295.53IUPAC Name: [6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acidSMILES: B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)Cl)(O)OInChIKey: AHUWHEZTYPWOCY-UHFFFAOYSA-NInChI: InChI=1S/C13H15BClNO4/c1-13(2,3)20-12(17)16-10-7-9(15)5-4-8(10)6-11(16)14(18)19/h4-7,18-19H,1-3H3
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(1-(tert-Butoxycarbonyl)-1H-indol-5-yl)boronic acidCas Number: 317830-84-5 Compound CID: 18375637Formula: C13H16BNO4 Molecular Weight: 261.079IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]indol-5-yl]boronic acidSMILES: B(C1=CC2=C(C=C1)N(C=C2)C(=O)OC(C)(C)C)(O)OInChIKey: LMSHKSBYXDUUBM-UHFFFAOYSA-NInChI: InChI=1S/C13H16BNO4/c1-13(2,3)19-12(16)15-7-6-9-8-10(14(17)18)4-5-11(9)15/h4-8,17-18H,1-3H3
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(1-(tert-Butoxycarbonyl)-5-((tert-butoxycarbonyl)amino)-1H-indol-2-yl)boronic acidCas Number: 913388-66-6 Compound CID: 57355740Formula: C18H25BN2O6 Molecular Weight: 376.22IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indol-2-yl]boronic acidSMILES: B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)NC(=O)OC(C)(C)C)(O)OInChIKey: SCZOPXMWIHYWGN-UHFFFAOYSA-NInChI: InChI=1S/C18H25BN2O6/c1-17(2,3)26-15(22)20-12-7-8-13-11(9-12)10-14(19(24)25)21(13)16(23)27-18(4,5)6/h7-10,24-25H,1-6H3,(H,20,22)
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(1-(tert-Butoxycarbonyl)-5-chloro-1H-indol-2-yl)boronic acidCas Number: 475102-12-6 Compound CID: 4198745Formula: C13H15BClNO4 Molecular Weight: 295.53IUPAC Name: [5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acidSMILES: B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)Cl)(O)OInChIKey: AHBMFEBTZKYPED-UHFFFAOYSA-NInChI: InChI=1S/C13H15BClNO4/c1-13(2,3)20-12(17)16-10-5-4-9(15)6-8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
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3-Methyl-1H-indole-6-carboxylic acidCas Number: 201286-69-3 Compound CID: 21935385Formula: C10H9NO2 Molecular Weight: 175.19IUPAC Name: 3-methyl-1H-indole-6-carboxylic acidSMILES: CC1=CNC2=C1C=CC(=C2)C(=O)OInChIKey: NYOPDHGKWNANDV-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO2/c1-6-5-11-9-4-7(10(12)13)2-3-8(6)9/h2-5,11H,1H3,(H,12,13)
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3-Cyclohexyl-1H-indole-6-carboxylic acidCas Number: 494799-17-6 Compound CID: 11241989Formula: C15H17NO2 Molecular Weight: 243.306IUPAC Name: 3-cyclohexyl-1H-indole-6-carboxylic acidSMILES: C1CCC(CC1)C2=CNC3=C2C=CC(=C3)C(=O)OInChIKey: OZJSQVKDKOOQIT-UHFFFAOYSA-NInChI: InChI=1S/C15H17NO2/c17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h6-10,16H,1-5H2,(H,17,18)
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3-AMINOMETHYL-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTERCas Number: 188988-46-7 Compound CID: 10999341IUPAC Name: tert-butyl 3-(aminomethyl)indole-1-carboxylateSMILES: CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CNInChIKey: DLCWCVSPHUGAPJ-UHFFFAOYSA-NInChI: InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-9-10(8-15)11-6-4-5-7-12(11)16/h4-7,9H,8,15H2,1-3H3
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3-AMINOMETHYL-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTERCas Number: 188988-46-7 Compound CID: 10999341IUPAC Name: tert-butyl 3-(aminomethyl)indole-1-carboxylateSMILES: CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CNInChIKey: DLCWCVSPHUGAPJ-UHFFFAOYSA-NInChI: InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-9-10(8-15)11-6-4-5-7-12(11)16/h4-7,9H,8,15H2,1-3H3
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2，3，3-Trimethyl-3H-indole-5-carboxylic acidCas Number: 84100-84-5 Compound CID: 3019696Formula: C12H13NO2 Molecular Weight: 203.241IUPAC Name: 2,3,3-trimethylindole-5-carboxylic acidSMILES: CC1=NC2=C(C1(C)C)C=C(C=C2)C(=O)OInChIKey: QUDAPQXQGBIUAR-UHFFFAOYSA-NInChI: InChI=1S/C12H13NO2/c1-7-12(2,3)9-6-8(11(14)15)4-5-10(9)13-7/h4-6H,1-3H3,(H,14,15)
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2-Methyl-1H-indole-4-carboxylic acidCas Number: 34058-50-9 Compound CID: 12280789Formula: C10H9NO2 Molecular Weight: 175.18IUPAC Name: 2-methyl-1H-indole-4-carboxylic acidSMILES: CC1=CC2=C(C=CC=C2N1)C(=O)OInChIKey: NUBJHNKCWFUFKW-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO2/c1-6-5-8-7(10(12)13)3-2-4-9(8)11-6/h2-5,11H,1H3,(H,12,13)
