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

Systemtic Name: 3-pyridin-4-yl-2-[(5-pyridin-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid Openeye Name: 3-(4-pyridyl)-2-[[5-(3-pyridyl)benzofuran-2-yl]methoxycarbonylamino]propanoic acid CAS Name: 2-[[oxo-[[5-(3-pyridinyl)-2-benzofuranyl]methoxy]methyl]amino]-3-pyridin-4-ylpropanoic acid IUPAC Name: 3-pyridin-4-yl-2-[(5-pyridin-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid Traditional Name: 3-(4-pyridyl)-2-[[5-(3-pyridyl)benzofuran-2-yl]methoxycarbonylamino]propionic acid Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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