(4-bromanyl-2-fluoranyl-phenyl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid (4-bromo-2-fluoro-benzyl) ester Formula: C19H17BrF4N2O2 MolecularWeight: 461.248093

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)Br)F)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)Br)F)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H17BrF4N2O2/c20-15-3-1-13(16(21)9-15)11-28-18(27)12-5-7-26(8-6-12)17-4-2-14(10-25-17)19(22,23)24/h1-4,9-10,12H,5-8,11H2