(2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C26H38N6O4 MolecularWeight: 498.61772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2CCC(CC2)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2CCC(CC2)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H38N6O4/c27-24(28)19-6-10-22(11-7-19)30-14-16-32(17-15-30)26(35)29-21-8-4-20(5-9-21)25(34)36-18-23(33)31-12-2-1-3-13-31/h6-7,10-11,20-21H,1-5,8-9,12-18H2,(H3,27,28)(H,29,35)