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

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-(2,5-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=C(C=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=C(C=CC(=C5)C)C

InChI

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