[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C20H18BrF3N2O3 MolecularWeight: 471.26773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrF3N2O3/c21-16-3-1-2-14(10-16)17(27)12-29-19(28)13-6-8-26(9-7-13)18-5-4-15(11-25-18)20(22,23)24/h1-5,10-11,13H,6-9,12H2