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

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-[2-(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)OCC3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F)C(=O)O

InChI

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