1-[(3-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C27H26F3NO3 MolecularWeight: 469.49545

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F

InChI

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