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

Systemtic Name: 2-butyl-1-[(4-methoxycarbonylphenyl)methyl]-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Openeye Name: 2-butyl-1-[(4-methoxycarbonylphenyl)methyl]-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid CAS Name: 2-butyl-1-[(4-methoxycarbonylphenyl)methyl]-3-(4-phenyl-1-cyclohexenyl)-6-indolecarboxylic acid IUPAC Name: 2-butyl-1-[(4-methoxycarbonylphenyl)methyl]-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Traditional Name: 2-butyl-1-(4-carbomethoxybenzyl)-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Formula: C34H35NO4 MolecularWeight: 521.646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N1CC3=CC=C(C=C3)C(=O)OC)C=C(C=C2)C(=O)O)C4=CCC(CC4)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=C(C2=C(N1CC3=CC=C(C=C3)C(=O)OC)C=C(C=C2)C(=O)O)C4=CCC(CC4)C5=CC=CC=C5

InChI

InChI=1S/C34H35NO4/c1-3-4-10-30-32(26-17-15-25(16-18-26)24-8-6-5-7-9-24)29-20-19-28(33(36)37)21-31(29)35(30)22-23-11-13-27(14-12-23)34(38)39-2/h5-9,11-14,17,19-21,25H,3-4,10,15-16,18,22H2,1-2H3,(H,36,37)