4-fluoranyl-3-(pentan-3-ylamino)benzoic acid

Systemtic Name: 4-fluoranyl-3-(pentan-3-ylamino)benzoic acid Openeye Name: 3-(1-ethylpropylamino)-4-fluoro-benzoic acid CAS Name: 4-fluoro-3-(pentan-3-ylamino)benzoic acid IUPAC Name: 4-fluoro-3-(pentan-3-ylamino)benzoic acid Traditional Name: 3-(1-ethylpropylamino)-4-fluoro-benzoic acid Formula: C12H16FNO2 MolecularWeight: 225.259343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16FNO2/c1-3-9(4-2)14-11-7-8(12(15)16)5-6-10(11)13/h5-7,9,14H,3-4H2,1-2H3,(H,15,16)