2,2-dimethylpropanoyloxymethyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: 2,2-dimethylpropanoyloxymethyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester hydrochloride IUPAC Name: 2,2-dimethylpropanoyloxymethyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid pivaloyloxymethyl ester hydrochloride Formula: C25H38ClN5O5 MolecularWeight: 524.05272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C25H37N5O5.ClH/c1-25(2,3)23(32)35-16-34-22(31)18-4-8-19(9-5-18)28-24(33)30-14-12-29(13-15-30)20-10-6-17(7-11-20)21(26)27;/h6-7,10-11,18-19H,4-5,8-9,12-16H2,1-3H3,(H3,26,27)(H,28,33);1H