ethyl (1R,2R)-1-(2-cyanoethyl)-2-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R,2R)-1-(2-cyanoethyl)-2-oxidanyl-cyclohexane-1-carboxylate Openeye Name: ethyl (1R,2R)-1-(2-cyanoethyl)-2-hydroxy-cyclohexanecarboxylate CAS Name: (1R,2R)-1-(2-cyanoethyl)-2-hydroxy-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2R)-1-(2-cyanoethyl)-2-hydroxycyclohexane-1-carboxylate Traditional Name: (1R,2R)-1-(2-cyanoethyl)-2-hydroxy-cyclohexanecarboxylic acid ethyl ester Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1O)CCC#N

Isomeric SMILES

CCOC(=O)[C@]1(CCCC[C@H]1O)CCC#N

InChI

InChI=1S/C12H19NO3/c1-2-16-11(15)12(8-5-9-13)7-4-3-6-10(12)14/h10,14H,2-8H2,1H3/t10-,12-/m1/s1