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

Systemtic Name: [(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl] (1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: [(3R)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl] (1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-1-cyano-3,4-dimethyl-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] (1R,6S)-1-cyano-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylic acid [(3R)-2-keto-4,4-dimethyl-tetrahydrofuran-3-yl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C2=CC=CC=C2)(C#N)C(=O)OC3C(=O)OCC3(C)C)C

Isomeric SMILES

CC1=C(C[C@@]([C@@H](C1)C2=CC=CC=C2)(C#N)C(=O)O[C@H]3C(=O)OCC3(C)C)C

InChI

InChI=1S/C22H25NO4/c1-14-10-17(16-8-6-5-7-9-16)22(12-23,11-15(14)2)20(25)27-18-19(24)26-13-21(18,3)4/h5-9,17-18H,10-11,13H2,1-4H3/t17-,18-,22-/m0/s1