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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)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-(propylamino)ethyl] ester Formula: C14H19ClN2O3 MolecularWeight: 298.76526

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(N=C(C=C1C)C)Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=C(N=C(C=C1C)C)Cl

InChI

InChI=1S/C14H19ClN2O3/c1-5-6-16-13(18)10(4)20-14(19)11-8(2)7-9(3)17-12(11)15/h7,10H,5-6H2,1-4H3,(H,16,18)/t10-/m0/s1