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

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H21F3N4O5 MolecularWeight: 454.39975

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC(=O)NCC2=CC=CO2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC(=O)NCC2=CC=CO2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N4O5/c21-20(22,23)14-3-4-16(24-10-14)27-7-5-13(6-8-27)18(29)32-12-17(28)26-19(30)25-11-15-2-1-9-31-15/h1-4,9-10,13H,5-8,11-12H2,(H2,25,26,28,30)