2-[4-[[2-butyl-5-(4-oxidanyl-4-oxidanylidene-butanoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-5-(4-oxidanyl-4-oxidanylidene-butanoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-(4-hydroxy-4-oxo-butanoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-(4-hydroxy-1,4-dioxobutyl)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-(4-hydroxy-4-oxobutanoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-(4-hydroxy-4-keto-butanoyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C29H28N2O5 MolecularWeight: 484.54302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)C(=O)CCC(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C29H28N2O5/c1-2-3-8-27-30-24-17-21(26(32)15-16-28(33)34)13-14-25(24)31(27)18-19-9-11-20(12-10-19)22-6-4-5-7-23(22)29(35)36/h4-7,9-14,17H,2-3,8,15-16,18H2,1H3,(H,33,34)(H,35,36)