methyl 3-[1-[6-(2-carbamimidoyl-4-methyl-phenyl)pyridazin-3-yl]imidazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[6-(2-carbamimidoyl-4-methyl-phenyl)pyridazin-3-yl]imidazol-4-yl]propanoate Openeye Name: methyl 3-[1-[6-(2-carbamimidoyl-4-methyl-phenyl)pyridazin-3-yl]imidazol-4-yl]propanoate CAS Name: 3-[1-[6-(2-carbamimidoyl-4-methylphenyl)-3-pyridazinyl]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[6-(2-carbamimidoyl-4-methylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoate Traditional Name: 3-[1-[6-(2-amidino-4-methyl-phenyl)pyridazin-3-yl]imidazol-4-yl]propionic acid methyl ester Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN=C(C=C2)N3C=C(N=C3)CCC(=O)OC)C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN=C(C=C2)N3C=C(N=C3)CCC(=O)OC)C(=N)N

InChI

InChI=1S/C19H20N6O2/c1-12-3-5-14(15(9-12)19(20)21)16-6-7-17(24-23-16)25-10-13(22-11-25)4-8-18(26)27-2/h3,5-7,9-11H,4,8H2,1-2H3,(H3,20,21)