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

Systemtic Name: [(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1S)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1S)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H18N2O4 MolecularWeight: 362.37862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

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