ethyl 1-[2-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridyl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[3-chloro-2-keto-5-(trifluoromethyl)-1-pyridyl]acetyl]nipecotic acid ethyl ester Formula: C16H18ClF3N2O4 MolecularWeight: 394.77333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F

InChI

InChI=1S/C16H18ClF3N2O4/c1-2-26-15(25)10-4-3-5-21(7-10)13(23)9-22-8-11(16(18,19)20)6-12(17)14(22)24/h6,8,10H,2-5,7,9H2,1H3