3-fluoranyl-4-[methyl(3-methylbutan-2-yl)amino]benzoic acid

Systemtic Name: 3-fluoranyl-4-[methyl(3-methylbutan-2-yl)amino]benzoic acid Openeye Name: 4-[1,2-dimethylpropyl(methyl)amino]-3-fluoro-benzoic acid CAS Name: 3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]benzoic acid IUPAC Name: 3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]benzoic acid Traditional Name: 4-[1,2-dimethylpropyl(methyl)amino]-3-fluoro-benzoic acid Formula: C13H18FNO2 MolecularWeight: 239.285923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FNO2/c1-8(2)9(3)15(4)12-6-5-10(13(16)17)7-11(12)14/h5-9H,1-4H3,(H,16,17)