[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C19H19ClN2O3 MolecularWeight: 358.81876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3CC3)Cl)C

InChI

InChI=1S/C19H19ClN2O3/c1-11-10-12(2)21-17(20)15(11)19(24)25-16(13-6-4-3-5-7-13)18(23)22-14-8-9-14/h3-7,10,14,16H,8-9H2,1-2H3,(H,22,23)/t16-/m0/s1