methyl 1-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-[5-(trifluoromethyl)-2-pyridyl]piperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[1-[5-(trifluoromethyl)-2-pyridinyl]-3-piperidinyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-[5-(trifluoromethyl)-2-pyridyl]nipecotoyl]isonipecotic acid methyl ester Formula: C19H24F3N3O3 MolecularWeight: 399.40737

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H24F3N3O3/c1-28-18(27)13-6-9-24(10-7-13)17(26)14-3-2-8-25(12-14)16-5-4-15(11-23-16)19(20,21)22/h4-5,11,13-14H,2-3,6-10,12H2,1H3