3-phenyl-2-[(5-pyrimidin-5-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[(5-pyrimidin-5-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[(5-pyrimidin-5-ylbenzofuran-2-yl)methoxycarbonylamino]propanoic acid CAS Name: 2-[[oxo-[[5-(5-pyrimidinyl)-2-benzofuranyl]methoxy]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[(5-pyrimidin-5-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid Traditional Name: 3-phenyl-2-[[5-(5-pyrimidyl)benzofuran-2-yl]methoxycarbonylamino]propionic acid Formula: C23H19N3O5 MolecularWeight: 417.41406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CN=CN=C4

InChI

InChI=1S/C23H19N3O5/c27-22(28)20(8-15-4-2-1-3-5-15)26-23(29)30-13-19-10-17-9-16(6-7-21(17)31-19)18-11-24-14-25-12-18/h1-7,9-12,14,20H,8,13H2,(H,26,29)(H,27,28)