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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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