cyclooctyl (1S,5R,6R)-6-cyano-4-oxidanylidene-bicyclo[3.1.0]hexane-6-carboxylate

Systemtic Name: cyclooctyl (1S,5R,6R)-6-cyano-4-oxidanylidene-bicyclo[3.1.0]hexane-6-carboxylate Openeye Name: cyclooctyl (1S,5R,6R)-6-cyano-4-oxo-bicyclo[3.1.0]hexane-6-carboxylate CAS Name: (1S,5R,6R)-6-cyano-4-oxo-6-bicyclo[3.1.0]hexanecarboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl (1S,5R,6R)-6-cyano-4-oxobicyclo[3.1.0]hexane-6-carboxylate Traditional Name: (1S,5R,6R)-6-cyano-4-keto-bicyclo[3.1.0]hexane-6-carboxylic acid cyclooctyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)OC(=O)C2(C3C2C(=O)CC3)C#N

Isomeric SMILES

C1CCCC(CCC1)OC(=O)[C@@]2([C@@H]3[C@H]2C(=O)CC3)C#N

InChI

InChI=1S/C16H21NO3/c17-10-16(12-8-9-13(18)14(12)16)15(19)20-11-6-4-2-1-3-5-7-11/h11-12,14H,1-9H2/t12-,14-,16+/m0/s1