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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C20H17NO3 MolecularWeight: 319.35388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H17NO3/c1-13-7-9-16(10-8-13)19(22)14(2)24-20(23)18-12-11-15-5-3-4-6-17(15)21-18/h3-12,14H,1-2H3