1-[(2-bromanyl-4,5-dimethoxy-phenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-[4-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C22H23BrF3NO4 MolecularWeight: 502.32153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCCC3C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCCC3C(=O)O)Br)OC

InChI

InChI=1S/C22H23BrF3NO4/c1-30-18-11-15(16(23)12-19(18)31-2)20(27-10-4-3-5-17(27)21(28)29)13-6-8-14(9-7-13)22(24,25)26/h6-9,11-12,17,20H,3-5,10H2,1-2H3,(H,28,29)