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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C25H32F3N3O3 MolecularWeight: 479.53509

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=NC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=NC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C25H32F3N3O3/c26-25(27,28)20-1-2-21(29-13-20)31-5-3-19(4-6-31)23(33)34-14-22(32)30-15-24-10-16-7-17(11-24)9-18(8-16)12-24/h1-2,13,16-19H,3-12,14-15H2,(H,30,32)