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

Systemtic Name: 1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C20H19BrF3NO2 MolecularWeight: 442.26957

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)Br)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)Br)C3=CC=CC=C3C(F)(F)F

InChI

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