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

Systemtic Name: ethyl 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(CCC1=O)(C#N)C2=CC(=C(C=C2)OC)OCC3CC3

Isomeric SMILES

CCOC(=O)C1CC(CCC1=O)(C#N)C2=CC(=C(C=C2)OC)OCC3CC3

InChI

InChI=1S/C21H25NO5/c1-3-26-20(24)16-11-21(13-22,9-8-17(16)23)15-6-7-18(25-2)19(10-15)27-12-14-4-5-14/h6-7,10,14,16H,3-5,8-9,11-12H2,1-2H3