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

Systemtic Name: 1-[(2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C21H22F3NO3 MolecularWeight: 393.39949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC=C(C=C2)C(F)(F)F)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC=C(C=C2)C(F)(F)F)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H22F3NO3/c1-28-18-8-3-2-6-16(18)19(25-13-5-4-7-17(25)20(26)27)14-9-11-15(12-10-14)21(22,23)24/h2-3,6,8-12,17,19H,4-5,7,13H2,1H3,(H,26,27)