[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] quinoline-2-carboxylate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O3/c1-14(2)16-8-4-6-10-18(16)23-20(24)13-26-21(25)19-12-11-15-7-3-5-9-17(15)22-19/h3-12,14H,13H2,1-2H3,(H,23,24)