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

Systemtic Name: 1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)Br)C3=CC=CC=C3C(F)(F)F)C(=O)O

Isomeric SMILES

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

InChI

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