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

Systemtic Name: [1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-acetylanilino)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(3-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(=C1)C(=O)C)OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

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

InChI

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