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

Systemtic Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoyloxymethyl 2,2-dimethylpropanoate Openeye Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoyloxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-imidazolyl]-1-oxopropoxy]methyl ester IUPAC Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoyloxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]imidazol-4-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)33-14-32-20(30)11-8-17-12-29(13-26-17)19-10-9-18(27-28-19)15-4-6-16(7-5-15)21(24)25/h4-7,9-10,12-13H,8,11,14H2,1-3H3,(H3,24,25)