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

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

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

InChI

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