4-fluoranyl-3-(4-methylpentan-2-ylamino)benzoic acid

Systemtic Name: 4-fluoranyl-3-(4-methylpentan-2-ylamino)benzoic acid Openeye Name: 3-(1,3-dimethylbutylamino)-4-fluoro-benzoic acid CAS Name: 4-fluoro-3-(4-methylpentan-2-ylamino)benzoic acid IUPAC Name: 4-fluoro-3-(4-methylpentan-2-ylamino)benzoic acid Traditional Name: 3-(1,3-dimethylbutylamino)-4-fluoro-benzoic acid Formula: C13H18FNO2 MolecularWeight: 239.285923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=C(C=CC(=C1)C(=O)O)F

Isomeric SMILES

CC(C)CC(C)NC1=C(C=CC(=C1)C(=O)O)F

InChI

InChI=1S/C13H18FNO2/c1-8(2)6-9(3)15-12-7-10(13(16)17)4-5-11(12)14/h4-5,7-9,15H,6H2,1-3H3,(H,16,17)