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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F)C(=O)O

InChI

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