ethyl 2-[(3S,5R)-1-cyano-3,5-dimethyl-cyclohexyl]ethanoate

Systemtic Name: ethyl 2-[(3S,5R)-1-cyano-3,5-dimethyl-cyclohexyl]ethanoate Openeye Name: ethyl 2-[(3S,5R)-1-cyano-3,5-dimethyl-cyclohexyl]acetate CAS Name: 2-[(3S,5R)-1-cyano-3,5-dimethylcyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S,5R)-1-cyano-3,5-dimethylcyclohexyl]acetate Traditional Name: 2-[(3S,5R)-1-cyano-3,5-dimethyl-cyclohexyl]acetic acid ethyl ester Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CC(CC(C1)C)C)C#N

Isomeric SMILES

CCOC(=O)CC1(C[C@@H](C[C@@H](C1)C)C)C#N

InChI

InChI=1S/C13H21NO2/c1-4-16-12(15)8-13(9-14)6-10(2)5-11(3)7-13/h10-11H,4-8H2,1-3H3/t10-,11+,13?