[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] quinoline-2-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid (2-keto-2-mesityl-ethyl) ester Formula: C21H19NO3 MolecularWeight: 333.38046

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3/c1-13-10-14(2)20(15(3)11-13)19(23)12-25-21(24)18-9-8-16-6-4-5-7-17(16)22-18/h4-11H,12H2,1-3H3