2-[4-[[2-butyl-6-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-6-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-6-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C29H28N4O3 MolecularWeight: 480.55762

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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=C(C=C2)C5=NNC(=O)CC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)C5=NNC(=O)CC5

InChI

InChI=1S/C29H28N4O3/c1-2-3-8-27-30-25-14-13-21(24-15-16-28(34)32-31-24)17-26(25)33(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,32,34)(H,35,36)