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

Systemtic Name: 1-[(3-phenoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-phenoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-[4-(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=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)O

InChI

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