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

Systemtic Name: 3-[1-[6-(2-carbamimidoyl-4-methyl-phenyl)pyridazin-3-yl]imidazol-4-yl]propanoic acid Openeye Name: 3-[1-[6-(2-carbamimidoyl-4-methyl-phenyl)pyridazin-3-yl]imidazol-4-yl]propanoic acid CAS Name: 3-[1-[6-(2-carbamimidoyl-4-methylphenyl)-3-pyridazinyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-[1-[6-(2-carbamimidoyl-4-methylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoic acid Traditional Name: 3-[1-[6-(2-amidino-4-methyl-phenyl)pyridazin-3-yl]imidazol-4-yl]propionic acid Formula: C18H18N6O2 MolecularWeight: 350.37452

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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)O)C(=N)N

Isomeric SMILES

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

InChI

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