[(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl] (1S,6R)-1-cyano-6-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: [(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl] (1S,6R)-1-cyano-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: [(3R)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl] (1S,6R)-1-cyano-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-1-cyano-6-phenyl-1-cyclohex-3-enecarboxylic acid [(3R)-4,4-dimethyl-2-oxo-3-oxolanyl] ester IUPAC Name: [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1S,6R)-1-cyano-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-1-cyano-6-phenyl-cyclohex-3-ene-1-carboxylic acid [(3R)-2-keto-4,4-dimethyl-tetrahydrofuran-3-yl] ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=O)C1OC(=O)C2(CC=CCC2C3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1(COC(=O)[C@@H]1OC(=O)[C@]2(CC=CC[C@@H]2C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C20H21NO4/c1-19(2)13-24-17(22)16(19)25-18(23)20(12-21)11-7-6-10-15(20)14-8-4-3-5-9-14/h3-9,15-16H,10-11,13H2,1-2H3/t15-,16+,20-/m1/s1