methyl 3-[3,4-bis(oxidanyl)phenyl]-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-[3,4-bis(oxidanyl)phenyl]-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoate Openeye Name: methyl 3-(3,4-dihydroxyphenyl)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-(3,4-dihydroxyphenyl)-2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dihydroxyphenyl)-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoate Traditional Name: 3-(3,4-dihydroxyphenyl)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C23H20N4O5 MolecularWeight: 432.4287

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C(CC1=CC(=C(C=C1)O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C23H20N4O5/c1-32-23(31)18(10-13-2-5-19(28)20(29)11-13)27-22(30)15-3-4-16-17(12-15)26-21(25-16)14-6-8-24-9-7-14/h2-9,11-12,18,28-29H,10H2,1H3,(H,25,26)(H,27,30)