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

Systemtic Name: methyl 4-[[5-(4-carbamimidoylphenyl)-1-methyl-2-oxidanylidene-pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[5-(4-carbamimidoylphenyl)-1-methyl-2-oxo-pyridine-3-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[5-(4-carbamimidoylphenyl)-1-methyl-2-oxo-3-pyridinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[5-(4-carbamimidoylphenyl)-1-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[5-(4-amidinophenyl)-2-keto-1-methyl-nicotinoyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C22H27ClN4O4 MolecularWeight: 446.92718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4.ClH/c1-26-12-16(13-3-5-14(6-4-13)19(23)24)11-18(21(26)28)20(27)25-17-9-7-15(8-10-17)22(29)30-2;/h3-6,11-12,15,17H,7-10H2,1-2H3,(H3,23,24)(H,25,27);1H