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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-[[4-(4-carbamimidoylphenyl)piperidin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-[[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-[[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperidine-1-carbonyl]amino]cyclohexanecarboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C27H39N5O4 MolecularWeight: 497.62966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2CCC(CC2)NC(=O)N3CCC(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2CCC(CC2)NC(=O)N3CCC(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H39N5O4/c28-25(29)21-6-4-19(5-7-21)20-12-16-32(17-13-20)27(35)30-23-10-8-22(9-11-23)26(34)36-18-24(33)31-14-2-1-3-15-31/h4-7,20,22-23H,1-3,8-18H2,(H3,28,29)(H,30,35)