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

Systemtic Name: 1-(carboxymethyl)-2-phenethyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Openeye Name: 1-(carboxymethyl)-2-phenethyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid CAS Name: 1-(carboxymethyl)-2-phenethyl-3-(4-phenyl-1-cyclohexenyl)-6-indolecarboxylic acid IUPAC Name: 1-(carboxymethyl)-2-phenethyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Traditional Name: 1-(carboxymethyl)-2-phenethyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Formula: C31H29NO4 MolecularWeight: 479.56626

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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)CCC5=CC=CC=C5

Isomeric SMILES

C1CC(=CCC1C2=CC=CC=C2)C3=C(N(C4=C3C=CC(=C4)C(=O)O)CC(=O)O)CCC5=CC=CC=C5

InChI

InChI=1S/C31H29NO4/c33-29(34)20-32-27(18-11-21-7-3-1-4-8-21)30(26-17-16-25(31(35)36)19-28(26)32)24-14-12-23(13-15-24)22-9-5-2-6-10-22/h1-10,14,16-17,19,23H,11-13,15,18,20H2,(H,33,34)(H,35,36)