ethyl (3R)-1-cyano-4,4-dimethyl-3-[(2R)-4-oxidanylidenebutan-2-yl]cyclohexane-1-carboxylate

Systemtic Name: ethyl (3R)-1-cyano-4,4-dimethyl-3-[(2R)-4-oxidanylidenebutan-2-yl]cyclohexane-1-carboxylate Openeye Name: ethyl (3R)-1-cyano-4,4-dimethyl-3-[(1R)-1-methyl-3-oxo-propyl]cyclohexanecarboxylate CAS Name: (3R)-1-cyano-4,4-dimethyl-3-[(2R)-4-oxobutan-2-yl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-cyano-4,4-dimethyl-3-[(2R)-4-oxobutan-2-yl]cyclohexane-1-carboxylate Traditional Name: (3R)-1-cyano-3-[(1R)-3-keto-1-methyl-propyl]-4,4-dimethyl-cyclohexanecarboxylic acid ethyl ester Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(C(C1)C(C)CC=O)(C)C)C#N

Isomeric SMILES

CCOC(=O)C1(CCC([C@H](C1)[C@H](C)CC=O)(C)C)C#N

InChI

InChI=1S/C16H25NO3/c1-5-20-14(19)16(11-17)8-7-15(3,4)13(10-16)12(2)6-9-18/h9,12-13H,5-8,10H2,1-4H3/t12-,13-,16?/m1/s1