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

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

Isomeric SMILES

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

InChI

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