methyl 4-[[4-(5-carbamimidoylpyridin-2-yl)phenyl]carbonylamino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: methyl 4-[[4-(5-carbamimidoylpyridin-2-yl)phenyl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[4-(5-carbamimidoyl-2-pyridyl)benzoyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[4-(5-carbamimidoyl-2-pyridinyl)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[4-(5-carbamimidoylpyridin-2-yl)benzoyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[4-(5-amidino-2-pyridyl)benzoyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3.ClH/c1-28-21(27)15-6-9-17(10-7-15)25-20(26)14-4-2-13(3-5-14)18-11-8-16(12-24-18)19(22)23;/h2-5,8,11-12,15,17H,6-7,9-10H2,1H3,(H3,22,23)(H,25,26);1H