[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] quinoline-2-carboxylate

Systemtic Name: [(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] quinoline-2-carboxylate Openeye Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H20N2O3/c1-17-11-14-20(15-12-17)26-24(28)23(19-8-3-2-4-9-19)30-25(29)22-16-13-18-7-5-6-10-21(18)27-22/h2-16,23H,1H3,(H,26,28)/t23-/m0/s1