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

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C27H26F3NO3 MolecularWeight: 469.49545

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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)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H26F3NO3/c28-27(29,30)23-12-4-9-20(15-23)25(31-14-6-11-22(17-31)26(32)33)21-10-5-13-24(16-21)34-18-19-7-2-1-3-8-19/h1-5,7-10,12-13,15-16,22,25H,6,11,14,17-18H2,(H,32,33)