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

Systemtic Name: 1-[(3-phenoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-phenoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C26H24F3NO3 MolecularWeight: 455.46887

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(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H24F3NO3/c27-26(28,29)21-11-9-18(10-12-21)24(30-15-13-19(14-16-30)25(31)32)20-5-4-8-23(17-20)33-22-6-2-1-3-7-22/h1-12,17,19,24H,13-16H2,(H,31,32)