ethyl (3R,4S)-1-cyano-3-ethanoyl-4-methyl-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl (3R,4S)-1-cyano-3-ethanoyl-4-methyl-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: ethyl (3R,4S)-3-acetyl-1-cyano-4-hydroxy-4-methyl-cyclohexanecarboxylate CAS Name: (3R,4S)-3-acetyl-1-cyano-4-hydroxy-4-methyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-3-acetyl-1-cyano-4-hydroxy-4-methylcyclohexane-1-carboxylate Traditional Name: (3R,4S)-3-acetyl-1-cyano-4-hydroxy-4-methyl-cyclohexanecarboxylic acid ethyl ester Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-4-18-11(16)13(8-14)6-5-12(3,17)10(7-13)9(2)15/h10,17H,4-7H2,1-3H3/t10-,12-,13?/m0/s1