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

Systemtic Name: 1-[(4-bromophenyl)-[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C20H18BrClF3NO2 MolecularWeight: 476.71463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrClF3NO2/c21-15-6-3-12(4-7-15)18(26-9-1-2-14(11-26)19(27)28)13-5-8-17(22)16(10-13)20(23,24)25/h3-8,10,14,18H,1-2,9,11H2,(H,27,28)