(4-bromanyl-2-fluoranyl-phenyl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid (4-bromo-2-fluoro-benzyl) ester Formula: C17H17BrFN3O2 MolecularWeight: 394.238183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=C(C=C(C=C2)Br)F)C3=NC=CC=N3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=C(C=C(C=C2)Br)F)C3=NC=CC=N3

InChI

InChI=1S/C17H17BrFN3O2/c18-13-6-5-12(14(19)10-13)11-24-16(23)15-4-1-2-9-22(15)17-20-7-3-8-21-17/h3,5-8,10,15H,1-2,4,9,11H2