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

Systemtic Name: 1-[(4-methoxycarbonylphenyl)methyl]-2-phenethyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Openeye Name: 1-[(4-methoxycarbonylphenyl)methyl]-2-phenethyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid CAS Name: 1-[(4-methoxycarbonylphenyl)methyl]-2-phenethyl-3-(4-phenyl-1-cyclohexenyl)-6-indolecarboxylic acid IUPAC Name: 1-[(4-methoxycarbonylphenyl)methyl]-2-phenethyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Traditional Name: 1-(4-carbomethoxybenzyl)-2-phenethyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Formula: C38H35NO4 MolecularWeight: 569.6888

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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(=C2CCC4=CC=CC=C4)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(=C2CCC4=CC=CC=C4)C5=CCC(CC5)C6=CC=CC=C6

InChI

InChI=1S/C38H35NO4/c1-43-38(42)31-15-12-27(13-16-31)25-39-34(23-14-26-8-4-2-5-9-26)36(33-22-21-32(37(40)41)24-35(33)39)30-19-17-29(18-20-30)28-10-6-3-7-11-28/h2-13,15-16,19,21-22,24,29H,14,17-18,20,23,25H2,1H3,(H,40,41)