3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-fluoranyl-benzoic acid Openeye Name: 3-[1-(2,5-dimethyl-3-furyl)ethylamino]-4-fluoro-benzoic acid CAS Name: 3-[1-(2,5-dimethyl-3-furanyl)ethylamino]-4-fluorobenzoic acid IUPAC Name: 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-fluorobenzoic acid Traditional Name: 3-[1-(2,5-dimethyl-3-furyl)ethylamino]-4-fluoro-benzoic acid Formula: C15H16FNO3 MolecularWeight: 277.290843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(C)NC2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CC1=CC(=C(O1)C)C(C)NC2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C15H16FNO3/c1-8-6-12(10(3)20-8)9(2)17-14-7-11(15(18)19)4-5-13(14)16/h4-7,9,17H,1-3H3,(H,18,19)