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

Systemtic Name: [(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C21H17ClN2O3 MolecularWeight: 380.82428

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=C(N=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O3/c1-14-9-11-16(12-10-14)24-20(25)18(15-6-3-2-4-7-15)27-21(26)17-8-5-13-23-19(17)22/h2-13,18H,1H3,(H,24,25)/t18-/m0/s1