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

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-[3-(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)C(F)(F)F)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

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