(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl) (1S,2R)-1-cyano-2-phenyl-cyclohexane-1-carboxylate

Systemtic Name: (1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl) (1S,2R)-1-cyano-2-phenyl-cyclohexane-1-carboxylate Openeye Name: (2-ethoxy-1,1-dimethyl-2-oxo-ethyl) (1S,2R)-1-cyano-2-phenyl-cyclohexanecarboxylate CAS Name: (1S,2R)-1-cyano-2-phenyl-1-cyclohexanecarboxylic acid (1-ethoxy-2-methyl-1-oxopropan-2-yl) ester IUPAC Name: (1-ethoxy-2-methyl-1-oxopropan-2-yl) (1S,2R)-1-cyano-2-phenylcyclohexane-1-carboxylate Traditional Name: (1S,2R)-1-cyano-2-phenyl-cyclohexanecarboxylic acid (2-ethoxy-2-keto-1,1-dimethyl-ethyl) ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OC(=O)C1(CCCCC1C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)C(C)(C)OC(=O)[C@]1(CCCC[C@@H]1C2=CC=CC=C2)C#N

InChI

InChI=1S/C20H25NO4/c1-4-24-17(22)19(2,3)25-18(23)20(14-21)13-9-8-12-16(20)15-10-6-5-7-11-15/h5-7,10-11,16H,4,8-9,12-13H2,1-3H3/t16-,20-/m1/s1