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

Systemtic Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoate; (3-oxidanylideneoxiran-2-yl) ethanoate Openeye Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoate; (3-oxooxiran-2-yl) acetate CAS Name: acetic acid (3-oxo-2-oxiranyl) ester; 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoate; (3-oxooxiran-2-yl) acetate Traditional Name: acetic acid (3-ketooxiran-2-yl) ester; 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]imidazol-4-yl]propionic acid methyl ester Formula: C22H22N6O6 MolecularWeight: 466.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(=O)O1.COC(=O)CCC1=CN(C=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)OC1C(=O)O1.COC(=O)CCC1=CN(C=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H18N6O2.C4H4O4/c1-26-17(25)9-6-14-10-24(11-21-14)16-8-7-15(22-23-16)12-2-4-13(5-3-12)18(19)20;1-2(5)7-4-3(6)8-4/h2-5,7-8,10-11H,6,9H2,1H3,(H3,19,20);4H,1H3