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

Systemtic Name: 1-[(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-[4-(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=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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