methyl 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]oxyphenyl]propanoate

Systemtic Name: methyl 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]oxyphenyl]propanoate Openeye Name: methyl 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]oxyphenyl]propanoate CAS Name: 3-[4-[[6-(4-carbamimidoylphenyl)-3-pyridazinyl]oxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]oxyphenyl]propanoate Traditional Name: 3-[4-[6-(4-amidinophenyl)pyridazin-3-yl]oxyphenyl]propionic acid methyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)OC2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)OC2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H20N4O3/c1-27-20(26)13-4-14-2-9-17(10-3-14)28-19-12-11-18(24-25-19)15-5-7-16(8-6-15)21(22)23/h2-3,5-12H,4,13H2,1H3,(H3,22,23)