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

Systemtic Name: 1-[(4-ethylphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-[3-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C22H24F3NO2 MolecularWeight: 391.42667

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H24F3NO2/c1-2-15-6-8-16(9-7-15)20(26-12-10-17(11-13-26)21(27)28)18-4-3-5-19(14-18)22(23,24)25/h3-9,14,17,20H,2,10-13H2,1H3,(H,27,28)