(2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-[[5-(4-carbamimidoylphenyl)-2-methoxy-phenyl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-[[5-(4-carbamimidoylphenyl)-2-methoxy-phenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-[[5-(4-carbamimidoylphenyl)-2-methoxy-benzoyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[5-(4-carbamimidoylphenyl)-2-methoxyphenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-[[5-(4-carbamimidoylphenyl)-2-methoxybenzoyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[5-(4-amidinophenyl)-2-methoxy-benzoyl]amino]cyclohexanecarboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C29H36N4O5 MolecularWeight: 520.61994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=N)N)C(=O)NC3CCC(CC3)C(=O)OCC(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=N)N)C(=O)NC3CCC(CC3)C(=O)OCC(=O)N4CCCCC4

InChI

InChI=1S/C29H36N4O5/c1-37-25-14-11-22(19-5-7-20(8-6-19)27(30)31)17-24(25)28(35)32-23-12-9-21(10-13-23)29(36)38-18-26(34)33-15-3-2-4-16-33/h5-8,11,14,17,21,23H,2-4,9-10,12-13,15-16,18H2,1H3,(H3,30,31)(H,32,35)