(4-bromophenyl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: (4-bromophenyl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: (4-bromophenyl)methyl 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid (4-bromobenzyl) ester Formula: C19H18BrF3N2O2 MolecularWeight: 443.25763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrF3N2O2/c20-16-4-1-13(2-5-16)12-27-18(26)14-7-9-25(10-8-14)17-6-3-15(11-24-17)19(21,22)23/h1-6,11,14H,7-10,12H2