1-[(3-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C20H19BrF3NO2 MolecularWeight: 442.26957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=CC=CC=C3C(F)(F)F

InChI

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