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

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] quinoline-2-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C26H22N2O3/c1-17-14-18(2)16-21(15-17)27-25(29)24(20-9-4-3-5-10-20)31-26(30)23-13-12-19-8-6-7-11-22(19)28-23/h3-16,24H,1-2H3,(H,27,29)