methyl 5-cyano-1-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-cyano-1-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-1-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-1-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CC(CCC2=O)C#N)C(=O)OC)OCC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CC(CCC2=O)C#N)C(=O)OC)OCC3CC3

InChI

InChI=1S/C20H23NO5/c1-24-16-7-6-15(9-17(16)26-12-13-3-4-13)20(19(23)25-2)10-14(11-21)5-8-18(20)22/h6-7,9,13-14H,3-5,8,10,12H2,1-2H3