methyl 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-hexyl-1H-imidazol-5-yl]propanoate

Systemtic Name: methyl 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-hexyl-1H-imidazol-5-yl]propanoate Openeye Name: methyl 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-hexyl-1H-imidazol-5-yl]propanoate CAS Name: 3-[4-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-2-hexyl-1H-imidazol-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-hexyl-1H-imidazol-5-yl]propanoate Traditional Name: 3-[4-[6-(4-amidinophenyl)pyridazin-3-yl]-2-hexyl-1H-imidazol-5-yl]propionic acid methyl ester Formula: C24H30N6O2 MolecularWeight: 434.534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=C(N1)CCC(=O)OC)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCCCCC1=NC(=C(N1)CCC(=O)OC)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H30N6O2/c1-3-4-5-6-7-21-27-19(14-15-22(31)32-2)23(28-21)20-13-12-18(29-30-20)16-8-10-17(11-9-16)24(25)26/h8-13H,3-7,14-15H2,1-2H3,(H3,25,26)(H,27,28)