3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-hexyl-imidazol-4-yl]propanoic acid

Systemtic Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-hexyl-imidazol-4-yl]propanoic acid Openeye Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-hexyl-imidazol-4-yl]propanoic acid CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-2-hexyl-4-imidazolyl]propanoic acid IUPAC Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-hexylimidazol-4-yl]propanoic acid Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]-2-hexyl-imidazol-4-yl]propionic acid Formula: C23H28N6O2 MolecularWeight: 420.50742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=CN1C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

CCCCCCC1=NC(=CN1C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C23H28N6O2/c1-2-3-4-5-6-20-26-18(11-14-22(30)31)15-29(20)21-13-12-19(27-28-21)16-7-9-17(10-8-16)23(24)25/h7-10,12-13,15H,2-6,11,14H2,1H3,(H3,24,25)(H,30,31)