2-cyclopentyl-1-[(4-methoxycarbonylphenyl)methyl]-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid

Systemtic Name: 2-cyclopentyl-1-[(4-methoxycarbonylphenyl)methyl]-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Openeye Name: 2-cyclopentyl-1-[(4-methoxycarbonylphenyl)methyl]-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid CAS Name: 2-cyclopentyl-1-[(4-methoxycarbonylphenyl)methyl]-3-(4-phenyl-1-cyclohexenyl)-6-indolecarboxylic acid IUPAC Name: 2-cyclopentyl-1-[(4-methoxycarbonylphenyl)methyl]-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Traditional Name: 1-(4-carbomethoxybenzyl)-2-cyclopentyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Formula: C35H35NO4 MolecularWeight: 533.6567

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4CCCC4)C5=CCC(CC5)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4CCCC4)C5=CCC(CC5)C6=CC=CC=C6

InChI

InChI=1S/C35H35NO4/c1-40-35(39)28-13-11-23(12-14-28)22-36-31-21-29(34(37)38)19-20-30(31)32(33(36)27-9-5-6-10-27)26-17-15-25(16-18-26)24-7-3-2-4-8-24/h2-4,7-8,11-14,17,19-21,25,27H,5-6,9-10,15-16,18,22H2,1H3,(H,37,38)