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

Systemtic Name: 1-[(3-bromophenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-[4-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C20H19BrF3NO2 MolecularWeight: 442.26957

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H19BrF3NO2/c21-16-5-3-4-14(12-16)18(25-11-2-1-6-17(25)19(26)27)13-7-9-15(10-8-13)20(22,23)24/h3-5,7-10,12,17-18H,1-2,6,11H2,(H,26,27)