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

Systemtic Name: [2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-[(3S)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-[(3S)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-[(3S)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C16H20ClN3O4 MolecularWeight: 353.8007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)N2CCCC(C2)C(=O)N)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)N2CCC[C@@H](C2)C(=O)N)Cl)C

InChI

InChI=1S/C16H20ClN3O4/c1-9-6-10(2)19-14(17)13(9)16(23)24-8-12(21)20-5-3-4-11(7-20)15(18)22/h6,11H,3-5,7-8H2,1-2H3,(H2,18,22)/t11-/m0/s1