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

Systemtic Name: [(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1S)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21ClN2O3 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C)C(=O)NC2CCCC2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O[C@@H](C)C(=O)NC2CCCC2)Cl)C

InChI

InChI=1S/C16H21ClN2O3/c1-9-8-10(2)18-14(17)13(9)16(21)22-11(3)15(20)19-12-6-4-5-7-12/h8,11-12H,4-7H2,1-3H3,(H,19,20)/t11-/m0/s1