1-[(4-dimethylaminophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-[2-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C22H25F3N2O2 MolecularWeight: 406.44131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

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