4-[[2-(trifluoromethyl)phenyl]methylamino]butanoic acid

Systemtic Name: 4-[[2-(trifluoromethyl)phenyl]methylamino]butanoic acid Openeye Name: 4-[[2-(trifluoromethyl)phenyl]methylamino]butanoic acid CAS Name: 4-[[2-(trifluoromethyl)phenyl]methylamino]butanoic acid IUPAC Name: 4-[[2-(trifluoromethyl)phenyl]methylamino]butanoic acid Traditional Name: 4-[[2-(trifluoromethyl)benzyl]amino]butyric acid Formula: C12H14F3NO2 MolecularWeight: 261.24027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNCCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CNCCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C12H14F3NO2/c13-12(14,15)10-5-2-1-4-9(10)8-16-7-3-6-11(17)18/h1-2,4-5,16H,3,6-8H2,(H,17,18)