2-[4-[[2-ethyl-6-(6-oxidanylidene-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-ethyl-6-(6-oxidanylidene-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-ethyl-6-(6-oxo-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-ethyl-6-(6-oxo-1H-pyridazin-3-yl)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-ethyl-6-(6-oxo-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-ethyl-6-(6-keto-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)C5=NNC(=O)C=C5

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)C5=NNC(=O)C=C5

InChI

InChI=1S/C27H22N4O3/c1-2-25-28-23-12-11-19(22-13-14-26(32)30-29-22)15-24(23)31(25)16-17-7-9-18(10-8-17)20-5-3-4-6-21(20)27(33)34/h3-15H,2,16H2,1H3,(H,30,32)(H,33,34)