methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexane-1-carboperoxoate

Systemtic Name: methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexane-1-carboperoxoate Openeye Name: methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexanecarboperoxoate CAS Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-cyclohexanecarboperoxoic acid methyl ester IUPAC Name: methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboperoxoate Traditional Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexanecarboperoxoic acid methyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)OOC)C#N)OCC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)OOC)C#N)OCC3CC3

InChI

InChI=1S/C20H25NO5/c1-23-17-6-5-16(11-18(17)25-12-14-3-4-14)20(13-21)9-7-15(8-10-20)19(22)26-24-2/h5-6,11,14-15H,3-4,7-10,12H2,1-2H3