[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] quinoline-2-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H19NO3 MolecularWeight: 333.38046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C)C

InChI

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