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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

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