[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C33H28N2O3 MolecularWeight: 500.58702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=CC(=CC(=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=CC(=CC(=C5)C)C

InChI

InChI=1S/C33H28N2O3/c1-21-13-15-24(16-14-21)30-20-28(27-11-7-8-12-29(27)35-30)33(37)38-31(25-9-5-4-6-10-25)32(36)34-26-18-22(2)17-23(3)19-26/h4-20,31H,1-3H3,(H,34,36)