methyl 4-[[5-(4-carbamimidoylphenyl)-2-oxidanylidene-1H-pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: methyl 4-[[5-(4-carbamimidoylphenyl)-2-oxidanylidene-1H-pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[5-(4-carbamimidoylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[5-(4-carbamimidoylphenyl)-2-oxo-1H-pyridin-3-yl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[5-(4-carbamimidoylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[5-(4-amidinophenyl)-2-keto-1H-pyridine-3-carbonyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=CNC2=O)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=CNC2=O)C3=CC=C(C=C3)C(=N)N.Cl

InChI

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