1-[(2-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C27H26F3NO3 MolecularWeight: 469.49545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O

InChI

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