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

Systemtic Name: 1-[(3-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C26H24F3NO3 MolecularWeight: 455.46887

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F

InChI

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