2-[4-[(2-butylimidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butylimidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butylimidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-3-imidazo[4,5-d]pyridazinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butylimidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butylimidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]benzoic acid Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CN=NC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=NC2=CN=NC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

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