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

Systemtic Name: 1-[(4-methoxycarbonylphenyl)methyl]-2-phenyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Openeye Name: 1-[(4-methoxycarbonylphenyl)methyl]-2-phenyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid CAS Name: 1-[(4-methoxycarbonylphenyl)methyl]-2-phenyl-3-(4-phenyl-1-cyclohexenyl)-6-indolecarboxylic acid IUPAC Name: 1-[(4-methoxycarbonylphenyl)methyl]-2-phenyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Traditional Name: 1-(4-carbomethoxybenzyl)-2-phenyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Formula: C36H31NO4 MolecularWeight: 541.63564

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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(=C2C4=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(=C2C4=CC=CC=C4)C5=CCC(CC5)C6=CC=CC=C6

InChI

InChI=1S/C36H31NO4/c1-41-36(40)29-14-12-24(13-15-29)23-37-32-22-30(35(38)39)20-21-31(32)33(34(37)28-10-6-3-7-11-28)27-18-16-26(17-19-27)25-8-4-2-5-9-25/h2-15,18,20-22,26H,16-17,19,23H2,1H3,(H,38,39)