methyl 4-cyano-4-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 4-cyano-4-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl 4-cyano-4-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-hydroxy-cyclohexanecarboxylate CAS Name: 4-cyano-4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-1-hydroxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-4-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-1-hydroxycyclohexane-1-carboxylate Traditional Name: 4-cyano-4-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-hydroxy-cyclohexanecarboxylic acid methyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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