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

Systemtic Name: ethyl (1R,3R)-3-cyano-3-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexane-1-carboxylate Openeye Name: ethyl (1R,3R)-3-cyano-3-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexanecarboxylate CAS Name: (1R,3R)-3-cyano-3-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,3R)-3-cyano-3-[2-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate Traditional Name: (1R,3R)-3-cyano-3-[2-(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)C1CCCC(C1)(C#N)C2=C(C=C(C=C2)OC)OCC3CC3

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[C@](C1)(C#N)C2=C(C=C(C=C2)OC)OCC3CC3

InChI

InChI=1S/C21H27NO4/c1-3-25-20(23)16-5-4-10-21(12-16,14-22)18-9-8-17(24-2)11-19(18)26-13-15-6-7-15/h8-9,11,15-16H,3-7,10,12-13H2,1-2H3/t16-,21+/m1/s1