3-[5-acetamido-4-aminocarbonyl-2-(3,5-dimethoxyphenyl)benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[5-acetamido-4-aminocarbonyl-2-(3,5-dimethoxyphenyl)benzimidazol-1-yl]propanoic acid Openeye Name: 3-[5-acetamido-4-carbamoyl-2-(3,5-dimethoxyphenyl)benzimidazol-1-yl]propanoic acid CAS Name: 3-[5-acetamido-4-carbamoyl-2-(3,5-dimethoxyphenyl)-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[5-acetamido-4-carbamoyl-2-(3,5-dimethoxyphenyl)benzimidazol-1-yl]propanoic acid Traditional Name: 3-[5-acetamido-4-carbamoyl-2-(3,5-dimethoxyphenyl)benzimidazol-1-yl]propionic acid Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(C=C1)N(C(=N2)C3=CC(=CC(=C3)OC)OC)CCC(=O)O)C(=O)N

Isomeric SMILES

CC(=O)NC1=C(C2=C(C=C1)N(C(=N2)C3=CC(=CC(=C3)OC)OC)CCC(=O)O)C(=O)N

InChI

InChI=1S/C21H22N4O6/c1-11(26)23-15-4-5-16-19(18(15)20(22)29)24-21(25(16)7-6-17(27)28)12-8-13(30-2)10-14(9-12)31-3/h4-5,8-10H,6-7H2,1-3H3,(H2,22,29)(H,23,26)(H,27,28)