1-[(5-bromanyl-2-ethoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C22H23BrF3NO3 MolecularWeight: 486.32213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2C(F)(F)F)N3CCCCC3C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2C(F)(F)F)N3CCCCC3C(=O)O

InChI

InChI=1S/C22H23BrF3NO3/c1-2-30-19-11-10-14(23)13-16(19)20(27-12-6-5-9-18(27)21(28)29)15-7-3-4-8-17(15)22(24,25)26/h3-4,7-8,10-11,13,18,20H,2,5-6,9,12H2,1H3,(H,28,29)