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

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenethylamino)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-(phenethylamino)ethyl] ester Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C)C(=O)NCCC2=CC=CC=C2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O[C@@H](C)C(=O)NCCC2=CC=CC=C2)Cl)C

InChI

InChI=1S/C19H21ClN2O3/c1-12-11-13(2)22-17(20)16(12)19(24)25-14(3)18(23)21-10-9-15-7-5-4-6-8-15/h4-8,11,14H,9-10H2,1-3H3,(H,21,23)/t14-/m0/s1