[2-(3,4-dimethylphenyl)-2-oxidanylidene-1-phenyl-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-1-phenyl-ethyl] pyridine-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-1-phenyl-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(3,4-dimethylphenyl)-2-keto-1-phenyl-ethyl] ester Formula: C22H19NO3 MolecularWeight: 345.39116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=NC=C3)C

InChI

InChI=1S/C22H19NO3/c1-15-8-9-19(14-16(15)2)20(24)21(17-6-4-3-5-7-17)26-22(25)18-10-12-23-13-11-18/h3-14,21H,1-2H3