1-(carboxymethyl)-2-[[(4-methoxyphenyl)carbonyl-methyl-amino]methyl]-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-2-[[(4-methoxyphenyl)carbonyl-methyl-amino]methyl]-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Openeye Name: 1-(carboxymethyl)-2-[[(4-methoxybenzoyl)-methyl-amino]methyl]-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid CAS Name: 1-(carboxymethyl)-2-[[[(4-methoxyphenyl)-oxomethyl]-methylamino]methyl]-3-(4-phenyl-1-cyclohexenyl)-6-indolecarboxylic acid IUPAC Name: 1-(carboxymethyl)-2-[[(4-methoxybenzoyl)-methylamino]methyl]-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Traditional Name: 1-(carboxymethyl)-2-[[methyl(p-anisoyl)amino]methyl]-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Formula: C33H32N2O6 MolecularWeight: 552.61698

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C2=C(N1CC(=O)O)C=C(C=C2)C(=O)O)C3=CCC(CC3)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CN(CC1=C(C2=C(N1CC(=O)O)C=C(C=C2)C(=O)O)C3=CCC(CC3)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C33H32N2O6/c1-34(32(38)24-12-15-26(41-2)16-13-24)19-29-31(23-10-8-22(9-11-23)21-6-4-3-5-7-21)27-17-14-25(33(39)40)18-28(27)35(29)20-30(36)37/h3-7,10,12-18,22H,8-9,11,19-20H2,1-2H3,(H,36,37)(H,39,40)