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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H31F3N4O4 MolecularWeight: 508.53325

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C25H31F3N4O4/c26-25(27,28)19-1-2-20(29-13-19)32-5-3-18(4-6-32)22(34)36-14-21(33)30-23(35)31-24-10-15-7-16(11-24)9-17(8-15)12-24/h1-2,13,15-18H,3-12,14H2,(H2,30,31,33,35)