3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-methoxy-propanoic acid

Systemtic Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-methoxy-propanoic acid Openeye Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-methoxy-propanoic acid CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-imidazolyl]-2-methoxypropanoic acid IUPAC Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-methoxypropanoic acid Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]imidazol-4-yl]-2-methoxy-propionic acid Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CN(C=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

COC(CC1=CN(C=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C18H18N6O3/c1-27-15(18(25)26)8-13-9-24(10-21-13)16-7-6-14(22-23-16)11-2-4-12(5-3-11)17(19)20/h2-7,9-10,15H,8H2,1H3,(H3,19,20)(H,25,26)