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

Systemtic Name: [(2S)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1S)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1S)-2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18N2O4/c1-13(24)16-8-4-6-10-18(16)23-20(25)14(2)27-21(26)19-12-11-15-7-3-5-9-17(15)22-19/h3-12,14H,1-2H3,(H,23,25)/t14-/m0/s1