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

Systemtic Name: ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexanecarboxylate CAS Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid ethyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)(C#N)C2=CC(=C(C=C2)OC)OCC3CC3

Isomeric SMILES

CCOC(=O)C1CCC(CC1)(C#N)C2=CC(=C(C=C2)OC)OCC3CC3

InChI

InChI=1S/C21H27NO4/c1-3-25-20(23)16-8-10-21(14-22,11-9-16)17-6-7-18(24-2)19(12-17)26-13-15-4-5-15/h6-7,12,15-16H,3-5,8-11,13H2,1-2H3