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

Systemtic Name: methyl 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-5-[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(CCC(=O)C(C2)C(=O)OC)C#N)OCC3CC3

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5/c1-24-17-6-5-14(9-18(17)26-11-13-3-4-13)20(12-21)8-7-16(22)15(10-20)19(23)25-2/h5-6,9,13,15H,3-4,7-8,10-11H2,1-2H3