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

Systemtic Name: 2-[4-[[2-ethyl-4-methyl-6-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-ethyl-4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-ethyl-4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-ethyl-4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-ethyl-6-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NNC(=O)CC5)C

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NNC(=O)CC5)C

InChI

InChI=1S/C28H26N4O3/c1-3-25-29-27-17(2)14-20(23-12-13-26(33)31-30-23)15-24(27)32(25)16-18-8-10-19(11-9-18)21-6-4-5-7-22(21)28(34)35/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,31,33)(H,34,35)