[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pyridine-3-carboxylate

Systemtic Name: [(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pyridine-3-carboxylate Openeye Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C21H18N2O3 MolecularWeight: 346.37922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H18N2O3/c1-15-9-11-18(12-10-15)23-20(24)19(16-6-3-2-4-7-16)26-21(25)17-8-5-13-22-14-17/h2-14,19H,1H3,(H,23,24)/t19-/m0/s1