3-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid

Systemtic Name: 3-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-2-[[5-(3-pyridyl)benzofuran-2-yl]methoxycarbonylamino]propanoic acid CAS Name: 3-(4-fluorophenyl)-2-[[oxo-[[5-(3-pyridinyl)-2-benzofuranyl]methoxy]methyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-2-[[5-(3-pyridyl)benzofuran-2-yl]methoxycarbonylamino]propionic acid Formula: C24H19FN2O5 MolecularWeight: 434.416463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CC3=C(C=C2)OC(=C3)COC(=O)NC(CC4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=CC3=C(C=C2)OC(=C3)COC(=O)NC(CC4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C24H19FN2O5/c25-19-6-3-15(4-7-19)10-21(23(28)29)27-24(30)31-14-20-12-18-11-16(5-8-22(18)32-20)17-2-1-9-26-13-17/h1-9,11-13,21H,10,14H2,(H,27,30)(H,28,29)