5-cyano-5-(4-methoxydibenzofuran-1-yl)-1-methyl-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: 5-cyano-5-(4-methoxydibenzofuran-1-yl)-1-methyl-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: 5-cyano-5-(4-methoxydibenzofuran-1-yl)-1-methyl-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-(4-methoxy-1-dibenzofuranyl)-1-methyl-2-oxo-1-cyclohexanecarboxylate IUPAC Name: 5-cyano-5-(4-methoxydibenzofuran-1-yl)-1-methyl-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-2-keto-5-(4-methoxydibenzofuran-1-yl)-1-methyl-cyclohexanecarboxylate Formula: C22H18NO5- MolecularWeight: 376.38202

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCC1=O)(C#N)C2=C3C4=CC=CC=C4OC3=C(C=C2)OC)C(=O)[O-]

Isomeric SMILES

CC1(CC(CCC1=O)(C#N)C2=C3C4=CC=CC=C4OC3=C(C=C2)OC)C(=O)[O-]

InChI

InChI=1S/C22H19NO5/c1-21(20(25)26)11-22(12-23,10-9-17(21)24)14-7-8-16(27-2)19-18(14)13-5-3-4-6-15(13)28-19/h3-8H,9-11H2,1-2H3,(H,25,26)/p-1