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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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