cyclohexyl 2-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]ethaneperoxoate

Systemtic Name: cyclohexyl 2-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]ethaneperoxoate Openeye Name: cyclohexyl 2-[(5-benzyl-3-carbamimidoyl-benzofuran-2-carbonyl)amino]peroxyacetate CAS Name: 2-[[[3-carbamimidoyl-5-(phenylmethyl)-2-benzofuranyl]-oxomethyl]amino]ethaneperoxoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(5-benzyl-3-carbamimidoyl-1-benzofuran-2-carbonyl)amino]ethaneperoxoate Traditional Name: 2-[(3-amidino-5-benzyl-benzofuran-2-carbonyl)amino]peracetic acid cyclohexyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OOC(=O)CNC(=O)C2=C(C3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C(=N)N

Isomeric SMILES

C1CCC(CC1)OOC(=O)CNC(=O)C2=C(C3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C25H27N3O5/c26-24(27)22-19-14-17(13-16-7-3-1-4-8-16)11-12-20(19)31-23(22)25(30)28-15-21(29)33-32-18-9-5-2-6-10-18/h1,3-4,7-8,11-12,14,18H,2,5-6,9-10,13,15H2,(H3,26,27)(H,28,30)