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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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