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

Systemtic Name: 1-[(4-dimethylaminophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-[3-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C22H25F3N2O2 MolecularWeight: 406.44131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F3N2O2/c1-26(2)19-8-6-15(7-9-19)20(27-12-10-16(11-13-27)21(28)29)17-4-3-5-18(14-17)22(23,24)25/h3-9,14,16,20H,10-13H2,1-2H3,(H,28,29)