2-[4-[[6-(1-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)C5=NN(C(=O)CC5)C

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)C5=NN(C(=O)CC5)C

InChI

InChI=1S/C29H28N4O3/c1-3-6-27-30-25-14-13-21(24-15-16-28(34)32(2)31-24)17-26(25)33(27)18-19-9-11-20(12-10-19)22-7-4-5-8-23(22)29(35)36/h4-5,7-14,17H,3,6,15-16,18H2,1-2H3,(H,35,36)