1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C20H19BrF3NO2 MolecularWeight: 442.26957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)Br)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)Br)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H19BrF3NO2/c21-14-10-8-13(9-11-14)18(25-12-4-3-7-17(25)19(26)27)15-5-1-2-6-16(15)20(22,23)24/h1-2,5-6,8-11,17-18H,3-4,7,12H2,(H,26,27)