[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 3,6-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3,6-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3,6-dimethyl-2-(p-tolyl)cinchoninic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)OCC(=O)NC4=CC=CC(=C4C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)OCC(=O)NC4=CC=CC(=C4C)C)C

InChI

InChI=1S/C29H28N2O3/c1-17-9-12-22(13-10-17)28-21(5)27(23-15-18(2)11-14-25(23)31-28)29(33)34-16-26(32)30-24-8-6-7-19(3)20(24)4/h6-15H,16H2,1-5H3,(H,30,32)