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

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

Isomeric SMILES

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

InChI

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