[(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [(1S)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [(1S)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C)C(=O)NC4=CC=CC(=C4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O[C@@H](C)C(=O)NC4=CC=CC(=C4)C(=O)C

InChI

InChI=1S/C28H24N2O4/c1-17-11-13-20(14-12-17)26-16-24(23-9-4-5-10-25(23)30-26)28(33)34-19(3)27(32)29-22-8-6-7-21(15-22)18(2)31/h4-16,19H,1-3H3,(H,29,32)/t19-/m0/s1