3-(1-benzofuran-2-ylmethylamino)-4-fluoranyl-benzoic acid

Systemtic Name: 3-(1-benzofuran-2-ylmethylamino)-4-fluoranyl-benzoic acid Openeye Name: 3-(benzofuran-2-ylmethylamino)-4-fluoro-benzoic acid CAS Name: 3-(2-benzofuranylmethylamino)-4-fluorobenzoic acid IUPAC Name: 3-(1-benzofuran-2-ylmethylamino)-4-fluorobenzoic acid Traditional Name: 3-(benzofuran-2-ylmethylamino)-4-fluoro-benzoic acid Formula: C16H12FNO3 MolecularWeight: 285.269783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)CNC3=C(C=CC(=C3)C(=O)O)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)CNC3=C(C=CC(=C3)C(=O)O)F

InChI

InChI=1S/C16H12FNO3/c17-13-6-5-11(16(19)20)8-14(13)18-9-12-7-10-3-1-2-4-15(10)21-12/h1-8,18H,9H2,(H,19,20)