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

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

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

InChI

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