3-[5-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-yl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-yl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[(4-oxo-6,7-dihydro-5H-benzofuran-3-carbonyl)amino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[oxo-(4-oxo-6,7-dihydro-5H-benzofuran-3-yl)methyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[(4-keto-6,7-dihydro-5H-benzofuran-3-carbonyl)amino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=CO2)C(=O)NC3=CC4=C(C=C3)N(C=N4)C(CC(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=CO2)C(=O)NC3=CC4=C(C=C3)N(C=N4)C(CC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O5/c29-21-7-4-8-22-24(21)17(13-33-22)25(32)27-16-9-10-19-18(11-16)26-14-28(19)20(12-23(30)31)15-5-2-1-3-6-15/h1-3,5-6,9-11,13-14,20H,4,7-8,12H2,(H,27,32)(H,30,31)