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

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)-2-oxo-piperidine-4-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-2-oxo-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)-2-oxopiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[1-(4-amidinophenyl)-2-keto-isonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C21H29ClN4O4 MolecularWeight: 436.93236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2CCN(C(=O)C2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2CCN(C(=O)C2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H28N4O4.ClH/c1-29-21(28)14-2-6-16(7-3-14)24-20(27)15-10-11-25(18(26)12-15)17-8-4-13(5-9-17)19(22)23;/h4-5,8-9,14-16H,2-3,6-7,10-12H2,1H3,(H3,22,23)(H,24,27);1H