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

Systemtic Name: 2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]-3-pyridazin-3-yl-propanoic acid Openeye Name: 2-[(5-phenylbenzofuran-2-yl)methoxycarbonylamino]-3-pyridazin-3-yl-propanoic acid CAS Name: 2-[[oxo-[(5-phenyl-2-benzofuranyl)methoxy]methyl]amino]-3-(3-pyridazinyl)propanoic acid IUPAC Name: 2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]-3-pyridazin-3-ylpropanoic acid Traditional Name: 2-[(5-phenylbenzofuran-2-yl)methoxycarbonylamino]-3-pyridazin-3-yl-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=NN=CC=C4)C(=O)O

Isomeric SMILES

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

InChI

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