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

Systemtic Name: methyl 5-cyano-5-(4-methoxydibenzofuran-1-yl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-5-(4-methoxydibenzofuran-1-yl)-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-(4-methoxy-1-dibenzofuranyl)-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-5-(4-methoxydibenzofuran-1-yl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-2-keto-5-(4-methoxydibenzofuran-1-yl)cyclohexanecarboxylic acid methyl ester Formula: C22H19NO5 MolecularWeight: 377.38996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3(CCC(=O)C(C3)C(=O)OC)C#N)C4=CC=CC=C4O2

Isomeric SMILES

COC1=C2C(=C(C=C1)C3(CCC(=O)C(C3)C(=O)OC)C#N)C4=CC=CC=C4O2

InChI

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