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

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-[3-(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(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=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)23-10-4-8-21(16-23)25(31-14-12-20(13-15-31)26(32)33)22-9-5-11-24(17-22)34-18-19-6-2-1-3-7-19/h1-11,16-17,20,25H,12-15,18H2,(H,32,33)