[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H17NO3 MolecularWeight: 319.35388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO3/c1-13-7-8-14(2)16(11-13)19(22)12-24-20(23)18-10-9-15-5-3-4-6-17(15)21-18/h3-11H,12H2,1-2H3