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

Systemtic Name: 3-[6-(2-azanyl-1-methyl-benzimidazol-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoic acid Openeye Name: 3-[6-(2-amino-1-methyl-benzimidazol-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid CAS Name: 3-[6-[(2-amino-1-methyl-4-benzimidazolyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid IUPAC Name: 3-[6-(2-amino-1-methylbenzimidazol-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid Traditional Name: 3-[6-(2-amino-1-methyl-benzimidazol-4-yl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]propionic acid Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-23-15-3-2-4-16(18(15)22-20(23)21)28-13-5-6-14-12(11-13)7-9-24(19(14)27)10-8-17(25)26/h2-6,11H,7-10H2,1H3,(H2,21,22)(H,25,26)