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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN(C=N2)C3=NN=C(C=C3)CCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CN(C=N2)C3=NN=C(C=C3)CCC(=O)O)C(=N)N

InChI

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