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

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C27H26F3NO3 MolecularWeight: 469.49545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C27H26F3NO3/c28-27(29,30)23-8-4-7-22(17-23)25(31-15-13-21(14-16-31)26(32)33)20-9-11-24(12-10-20)34-18-19-5-2-1-3-6-19/h1-12,17,21,25H,13-16,18H2,(H,32,33)