5-[(6-butylimidazo[4,5-c]pyridazin-5-yl)methyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[(6-butylimidazo[4,5-c]pyridazin-5-yl)methyl]-2-phenyl-benzoic acid Openeye Name: 5-[(6-butylimidazo[4,5-c]pyridazin-5-yl)methyl]-2-phenyl-benzoic acid CAS Name: 5-[(6-butyl-5-imidazo[4,5-c]pyridazinyl)methyl]-2-phenylbenzoic acid IUPAC Name: 5-[(6-butylimidazo[4,5-c]pyridazin-5-yl)methyl]-2-phenylbenzoic acid Traditional Name: 5-[(6-butylimidazo[4,5-c]pyridazin-5-yl)methyl]-2-phenyl-benzoic acid Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O)C=CN=N2

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O)C=CN=N2

InChI

InChI=1S/C23H22N4O2/c1-2-3-9-21-25-22-20(12-13-24-26-22)27(21)15-16-10-11-18(19(14-16)23(28)29)17-7-5-4-6-8-17/h4-8,10-14H,2-3,9,15H2,1H3,(H,28,29)