(2,4,6-trimethylphenyl)carbonyl quinoline-2-carboxylate

Systemtic Name: (2,4,6-trimethylphenyl)carbonyl quinoline-2-carboxylate Openeye Name: (2,4,6-trimethylbenzoyl) quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [oxo-(2,4,6-trimethylphenyl)methyl] ester IUPAC Name: (2,4,6-trimethylbenzoyl) quinoline-2-carboxylate Traditional Name: quinaldic acid (2,4,6-trimethylbenzoyl) ester Formula: C20H17NO3 MolecularWeight: 319.35388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO3/c1-12-10-13(2)18(14(3)11-12)20(23)24-19(22)17-9-8-15-6-4-5-7-16(15)21-17/h4-11H,1-3H3