1-(carboxymethyl)-2-phenyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-2-phenyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Openeye Name: 1-(carboxymethyl)-2-phenyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid CAS Name: 1-(carboxymethyl)-2-phenyl-3-(4-phenyl-1-cyclohexenyl)-6-indolecarboxylic acid IUPAC Name: 1-(carboxymethyl)-2-phenyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Traditional Name: 1-(carboxymethyl)-2-phenyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Formula: C29H25NO4 MolecularWeight: 451.5131

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CCC1C2=CC=CC=C2)C3=C(N(C4=C3C=CC(=C4)C(=O)O)CC(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CC(=CCC1C2=CC=CC=C2)C3=C(N(C4=C3C=CC(=C4)C(=O)O)CC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H25NO4/c31-26(32)18-30-25-17-23(29(33)34)15-16-24(25)27(28(30)22-9-5-2-6-10-22)21-13-11-20(12-14-21)19-7-3-1-4-8-19/h1-10,13,15-17,20H,11-12,14,18H2,(H,31,32)(H,33,34)