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

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O3/c1-3-15-8-11-17(12-9-15)22-20(24)14(2)26-21(25)19-13-10-16-6-4-5-7-18(16)23-19/h4-14H,3H2,1-2H3,(H,22,24)