(4-bromanyl-2-fluoranyl-phenyl) 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl) 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl) 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid (4-bromo-2-fluorophenyl) ester IUPAC Name: (4-bromo-2-fluorophenyl) 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid (4-bromo-2-fluoro-phenyl) ester Formula: C19H16BrF2NO3 MolecularWeight: 424.236046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)OC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)OC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H16BrF2NO3/c20-14-5-8-17(16(22)10-14)26-19(25)13-2-1-9-23(11-13)18(24)12-3-6-15(21)7-4-12/h3-8,10,13H,1-2,9,11H2