4-[[5-(4-carbamimidoylphenyl)-1-methyl-2-oxidanylidene-pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[5-(4-carbamimidoylphenyl)-1-methyl-2-oxidanylidene-pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[5-(4-carbamimidoylphenyl)-1-methyl-2-oxo-pyridine-3-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[5-(4-carbamimidoylphenyl)-1-methyl-2-oxo-3-pyridinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[5-(4-carbamimidoylphenyl)-1-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[5-(4-amidinophenyl)-2-keto-1-methyl-nicotinoyl]amino]cyclohexanecarboxylic acid Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C(C1=O)C(=O)NC2CCC(CC2)C(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C=C(C=C(C1=O)C(=O)NC2CCC(CC2)C(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H24N4O4/c1-25-11-15(12-2-4-13(5-3-12)18(22)23)10-17(20(25)27)19(26)24-16-8-6-14(7-9-16)21(28)29/h2-5,10-11,14,16H,6-9H2,1H3,(H3,22,23)(H,24,26)(H,28,29)