3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoic acid

Systemtic Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoic acid Openeye Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoic acid CAS Name: 3-[2-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1H-imidazol-5-yl]propanoic acid IUPAC Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoic acid Traditional Name: 3-[2-[6-(4-amidinophenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propionic acid Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(C=C2)C3=NC=C(N3)CCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(C=C2)C3=NC=C(N3)CCC(=O)O)C(=N)N

InChI

InChI=1S/C17H16N6O2/c18-16(19)11-3-1-10(2-4-11)13-6-7-14(23-22-13)17-20-9-12(21-17)5-8-15(24)25/h1-4,6-7,9H,5,8H2,(H3,18,19)(H,20,21)(H,24,25)