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

Systemtic Name: 2-[4-[[3-(2-butyl-3H-benzimidazol-5-yl)-4-methyl-6-oxidanylidene-pyridazin-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-(2-butyl-3H-benzimidazol-5-yl)-4-methyl-6-oxo-pyridazin-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-(2-butyl-3H-benzimidazol-5-yl)-4-methyl-6-oxo-1-pyridazinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-(2-butyl-3H-benzimidazol-5-yl)-4-methyl-6-oxopyridazin-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-(2-butyl-3H-benzimidazol-5-yl)-6-keto-4-methyl-pyridazin-1-yl]methyl]phenyl]benzoic acid Formula: C30H28N4O3 MolecularWeight: 492.56832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C=C(C=C2)C3=NN(C(=O)C=C3C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1)C=C(C=C2)C3=NN(C(=O)C=C3C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C30H28N4O3/c1-3-4-9-27-31-25-15-14-22(17-26(25)32-27)29-19(2)16-28(35)34(33-29)18-20-10-12-21(13-11-20)23-7-5-6-8-24(23)30(36)37/h5-8,10-17H,3-4,9,18H2,1-2H3,(H,31,32)(H,36,37)