(3-carbamimidoylcyclohexyl) 2-(1-benzofuran-2-ylcarbonylamino)ethaneperoxoate

Systemtic Name: (3-carbamimidoylcyclohexyl) 2-(1-benzofuran-2-ylcarbonylamino)ethaneperoxoate Openeye Name: (3-carbamimidoylcyclohexyl) 2-(benzofuran-2-carbonylamino)peroxyacetate CAS Name: 2-[[2-benzofuranyl(oxo)methyl]amino]ethaneperoxoic acid (3-carbamimidoylcyclohexyl) ester IUPAC Name: (3-carbamimidoylcyclohexyl) 2-(1-benzofuran-2-carbonylamino)ethaneperoxoate Traditional Name: 2-(benzofuran-2-carbonylamino)peracetic acid (3-amidinocyclohexyl) ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)OOC(=O)CNC(=O)C2=CC3=CC=CC=C3O2)C(=N)N

Isomeric SMILES

C1CC(CC(C1)OOC(=O)CNC(=O)C2=CC3=CC=CC=C3O2)C(=N)N

InChI

InChI=1S/C18H21N3O5/c19-17(20)12-5-3-6-13(8-12)25-26-16(22)10-21-18(23)15-9-11-4-1-2-7-14(11)24-15/h1-2,4,7,9,12-13H,3,5-6,8,10H2,(H3,19,20)(H,21,23)