[(2S)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2-phenylanilino)ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1S)-2-keto-1-methyl-2-(2-phenylanilino)ethyl] ester Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)Cl)C

InChI

InChI=1S/C23H21ClN2O3/c1-14-13-15(2)25-21(24)20(14)23(28)29-16(3)22(27)26-19-12-8-7-11-18(19)17-9-5-4-6-10-17/h4-13,16H,1-3H3,(H,26,27)/t16-/m0/s1