2-butyl-6-(5H-imidazo[4,5-c]pyridazin-4-ylmethyl)-3-phenyl-benzoic acid

Systemtic Name: 2-butyl-6-(5H-imidazo[4,5-c]pyridazin-4-ylmethyl)-3-phenyl-benzoic acid Openeye Name: 2-butyl-6-(5H-imidazo[4,5-c]pyridazin-4-ylmethyl)-3-phenyl-benzoic acid CAS Name: 2-butyl-6-(5H-imidazo[4,5-c]pyridazin-4-ylmethyl)-3-phenylbenzoic acid IUPAC Name: 2-butyl-6-(5H-imidazo[4,5-c]pyridazin-4-ylmethyl)-3-phenylbenzoic acid Traditional Name: 2-butyl-6-(5H-imidazo[4,5-c]pyridazin-4-ylmethyl)-3-phenyl-benzoic acid Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1C(=O)O)CC2=CN=NC3=C2NC=N3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(C=CC(=C1C(=O)O)CC2=CN=NC3=C2NC=N3)C4=CC=CC=C4

InChI

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