3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoyloxymethyl 2,2-dimethylpropanoate

Systemtic Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoyloxymethyl 2,2-dimethylpropanoate Openeye Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoyloxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-[2-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1H-imidazol-5-yl]-1-oxopropoxy]methyl ester IUPAC Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoyloxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 3-[2-[6-(4-amidinophenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoyloxymethyl ester Formula: C23H26N6O4 MolecularWeight: 450.49034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)CCC1=CN=C(N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)CCC1=CN=C(N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H26N6O4/c1-23(2,3)22(31)33-13-32-19(30)11-8-16-12-26-21(27-16)18-10-9-17(28-29-18)14-4-6-15(7-5-14)20(24)25/h4-7,9-10,12H,8,11,13H2,1-3H3,(H3,24,25)(H,26,27)