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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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