4-[[3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-[[1-(4-hydroxybutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[[3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-2-keto-benzimidazol-1-yl]methyl]benzoic acid Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCCCO)CN3C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCCCO)CN3C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H26N4O4/c32-16-6-5-15-29-22-8-2-1-7-21(22)28-25(29)18-31-24-10-4-3-9-23(24)30(27(31)35)17-19-11-13-20(14-12-19)26(33)34/h1-4,7-14,32H,5-6,15-18H2,(H,33,34)