ethyl 1-[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl]piperidine-3-carboxylate Traditional Name: 1-[2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl]nipecotic acid ethyl ester Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=NC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C16H22ClN3O3/c1-3-23-16(22)12-5-4-8-20(10-12)11(2)15(21)19-14-7-6-13(17)9-18-14/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,18,19,21)