2-[[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]indol-3-yl]methyl]propanedioic acid

Systemtic Name: 2-[[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]indol-3-yl]methyl]propanedioic acid Openeye Name: 2-[[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]indol-3-yl]methyl]propanedioic acid CAS Name: 2-[[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-3-indolyl]methyl]propanedioic acid IUPAC Name: 2-[[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]indol-3-yl]methyl]propanedioic acid Traditional Name: 2-[[1-[6-(4-amidinophenyl)pyridazin-3-yl]indol-3-yl]methyl]malonic acid Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N)CC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C23H19N5O4/c24-21(25)14-7-5-13(6-8-14)18-9-10-20(27-26-18)28-12-15(11-17(22(29)30)23(31)32)16-3-1-2-4-19(16)28/h1-10,12,17H,11H2,(H3,24,25)(H,29,30)(H,31,32)