(2-cyclohexylperoxy-2-oxidanylidene-ethyl) 5-carbamimidoyl-1-benzofuran-2-carboxylate

Systemtic Name: (2-cyclohexylperoxy-2-oxidanylidene-ethyl) 5-carbamimidoyl-1-benzofuran-2-carboxylate Openeye Name: (2-cyclohexylperoxy-2-oxo-ethyl) 5-carbamimidoylbenzofuran-2-carboxylate CAS Name: 5-carbamimidoyl-2-benzofurancarboxylic acid (2-cyclohexyldioxy-2-oxoethyl) ester IUPAC Name: (2-cyclohexylperoxy-2-oxoethyl) 5-carbamimidoyl-1-benzofuran-2-carboxylate Traditional Name: 5-amidinocoumarilic acid (2-cyclohexylperoxy-2-keto-ethyl) ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OOC(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

C1CCC(CC1)OOC(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C18H20N2O6/c19-17(20)11-6-7-14-12(8-11)9-15(24-14)18(22)23-10-16(21)26-25-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H3,19,20)