2-[2-oxidanylidene-3-[[1-(3-oxidanylpropyl)benzimidazol-2-yl]methyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-[[1-(3-oxidanylpropyl)benzimidazol-2-yl]methyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]acetic acid CAS Name: 2-[3-[[1-(3-hydroxypropyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]acetic acid IUPAC Name: 2-[3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]acetic acid Traditional Name: 2-[3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]-2-keto-benzimidazol-1-yl]acetic acid Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCCO)CN3C4=CC=CC=C4N(C3=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCCO)CN3C4=CC=CC=C4N(C3=O)CC(=O)O

InChI

InChI=1S/C20H20N4O4/c25-11-5-10-22-15-7-2-1-6-14(15)21-18(22)12-23-16-8-3-4-9-17(16)24(20(23)28)13-19(26)27/h1-4,6-9,25H,5,10-13H2,(H,26,27)