4-[2-(3,5-dimethylphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-(1H-indol-3-ylmethyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(3,5-dimethylphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-(1H-indol-3-ylmethyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(3,5-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]-2-(1H-indol-3-ylmethyl)-4-oxo-butanoic acid CAS Name: 4-[2-[(3,5-dimethylphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoic acid IUPAC Name: 4-[2-(3,5-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoic acid Traditional Name: 4-[2-(3,5-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]-2-(1H-indol-3-ylmethyl)-4-keto-butyric acid Formula: C31H30N2O4 MolecularWeight: 494.5809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)CC(CC4=CNC5=CC=CC=C54)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)CC(CC4=CNC5=CC=CC=C54)C(=O)O)C

InChI

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