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

Systemtic Name: 1-[(3-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-[2-(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(=CC=C2)Br)C3=CC=CC=C3C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)Br)C3=CC=CC=C3C(F)(F)F)C(=O)O

InChI

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