[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] quinoline-2-carboxylate Openeye Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-(2,3,4,5-tetramethylphenyl)ethyl] ester Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO3/c1-13-11-18(16(4)15(3)14(13)2)21(24)12-26-22(25)20-10-9-17-7-5-6-8-19(17)23-20/h5-11H,12H2,1-4H3