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

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-[4-(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)C(F)(F)F)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

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