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

Systemtic Name: 2-[[(4-methoxyphenyl)carbonyl-methyl-amino]methyl]-3-(4-phenylcyclohexen-1-yl)-1H-indole-6-carboxylic acid Openeye Name: 2-[[(4-methoxybenzoyl)-methyl-amino]methyl]-3-(4-phenylcyclohexen-1-yl)-1H-indole-6-carboxylic acid CAS Name: 2-[[[(4-methoxyphenyl)-oxomethyl]-methylamino]methyl]-3-(4-phenyl-1-cyclohexenyl)-1H-indole-6-carboxylic acid IUPAC Name: 2-[[(4-methoxybenzoyl)-methylamino]methyl]-3-(4-phenylcyclohexen-1-yl)-1H-indole-6-carboxylic acid Traditional Name: 2-[[methyl(p-anisoyl)amino]methyl]-3-(4-phenylcyclohexen-1-yl)-1H-indole-6-carboxylic acid Formula: C31H30N2O4 MolecularWeight: 494.5809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C2=C(N1)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(N1)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/C31H30N2O4/c1-33(30(34)23-12-15-25(37-2)16-13-23)19-28-29(26-17-14-24(31(35)36)18-27(26)32-28)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-7,10,12-18,21,32H,8-9,11,19H2,1-2H3,(H,35,36)