5-[[4-methyl-3-(trifluoromethyl)phenyl]amino]pentanoic acid

Systemtic Name: 5-[[4-methyl-3-(trifluoromethyl)phenyl]amino]pentanoic acid Openeye Name: 5-[4-methyl-3-(trifluoromethyl)anilino]pentanoic acid CAS Name: 5-[4-methyl-3-(trifluoromethyl)anilino]pentanoic acid IUPAC Name: 5-[4-methyl-3-(trifluoromethyl)anilino]pentanoic acid Traditional Name: 5-[4-methyl-3-(trifluoromethyl)anilino]valeric acid Formula: C13H16F3NO2 MolecularWeight: 275.26685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCCCCC(=O)O)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NCCCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C13H16F3NO2/c1-9-5-6-10(8-11(9)13(14,15)16)17-7-3-2-4-12(18)19/h5-6,8,17H,2-4,7H2,1H3,(H,18,19)