3-[6-(2-azanyl-1-methyl-benzimidazol-4-yl)oxy-3-oxidanylidene-1H-isoindol-2-yl]propanoic acid

Systemtic Name: 3-[6-(2-azanyl-1-methyl-benzimidazol-4-yl)oxy-3-oxidanylidene-1H-isoindol-2-yl]propanoic acid Openeye Name: 3-[5-(2-amino-1-methyl-benzimidazol-4-yl)oxy-1-oxo-isoindolin-2-yl]propanoic acid CAS Name: 3-[6-[(2-amino-1-methyl-4-benzimidazolyl)oxy]-3-oxo-1H-isoindol-2-yl]propanoic acid IUPAC Name: 3-[6-(2-amino-1-methylbenzimidazol-4-yl)oxy-3-oxo-1H-isoindol-2-yl]propanoic acid Traditional Name: 3-[5-(2-amino-1-methyl-benzimidazol-4-yl)oxy-1-keto-isoindolin-2-yl]propionic acid Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)OC3=CC4=C(C=C3)C(=O)N(C4)CCC(=O)O)N=C1N

Isomeric SMILES

CN1C2=C(C(=CC=C2)OC3=CC4=C(C=C3)C(=O)N(C4)CCC(=O)O)N=C1N

InChI

InChI=1S/C19H18N4O4/c1-22-14-3-2-4-15(17(14)21-19(22)20)27-12-5-6-13-11(9-12)10-23(18(13)26)8-7-16(24)25/h2-6,9H,7-8,10H2,1H3,(H2,20,21)(H,24,25)