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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F)C(=O)O

InChI

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