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

Systemtic Name: 1-[(3-phenoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-phenoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C26H24F3NO3 MolecularWeight: 455.46887

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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)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H24F3NO3/c27-26(28,29)21-8-4-6-19(16-21)24(30-14-12-18(13-15-30)25(31)32)20-7-5-11-23(17-20)33-22-9-2-1-3-10-22/h1-11,16-18,24H,12-15H2,(H,31,32)