4-[[6-(4-carbamimidoylphenyl)-3-methoxy-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[6-(4-carbamimidoylphenyl)-3-methoxy-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[6-(4-carbamimidoylphenyl)-3-methoxy-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-3-methoxy-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[6-(4-carbamimidoylphenyl)-3-methoxypyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-(4-amidinophenyl)-3-methoxy-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1C(=O)NC2CCC(CC2)C(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=NN=C(C=C1C(=O)NC2CCC(CC2)C(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H23N5O4/c1-29-19-15(18(26)23-14-8-6-13(7-9-14)20(27)28)10-16(24-25-19)11-2-4-12(5-3-11)17(21)22/h2-5,10,13-14H,6-9H2,1H3,(H3,21,22)(H,23,26)(H,27,28)