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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CCN(C(C1)C(=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)23-14-5-4-13-22(23)25(31-16-7-6-15-24(31)26(32)33)20-11-8-12-21(17-20)34-18-19-9-2-1-3-10-19/h1-5,8-14,17,24-25H,6-7,15-16,18H2,(H,32,33)