(2-benzamido-2-oxidanylidene-ethyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H20F3N3O4 MolecularWeight: 435.39641

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O4/c22-21(23,24)16-6-7-17(25-12-16)27-10-8-15(9-11-27)20(30)31-13-18(28)26-19(29)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,26,28,29)