ethyl 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylate

Systemtic Name: ethyl 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylate Openeye Name: ethyl 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylate CAS Name: 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate Traditional Name: 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylic acid ethyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCC(C1)(C#N)C2=CC(=C(C=C2)OC)OCC3CC3

Isomeric SMILES

CCOC(=O)C1=CCCC(C1)(C#N)C2=CC(=C(C=C2)OC)OCC3CC3

InChI

InChI=1S/C21H25NO4/c1-3-25-20(23)16-5-4-10-21(12-16,14-22)17-8-9-18(24-2)19(11-17)26-13-15-6-7-15/h5,8-9,11,15H,3-4,6-7,10,12-13H2,1-2H3