methyl (1S,2S,4R)-2-cyano-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2S,4R)-2-cyano-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S,4R)-2-cyano-4-hydroxy-cyclohexanecarboxylate CAS Name: (1S,2S,4R)-2-cyano-4-hydroxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,4R)-2-cyano-4-hydroxycyclohexane-1-carboxylate Traditional Name: (1S,2S,4R)-2-cyano-4-hydroxy-cyclohexanecarboxylic acid methyl ester Formula: C9H13NO3 MolecularWeight: 183.20442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1C#N)O

Isomeric SMILES

COC(=O)[C@H]1CC[C@H](C[C@@H]1C#N)O

InChI

InChI=1S/C9H13NO3/c1-13-9(12)8-3-2-7(11)4-6(8)5-10/h6-8,11H,2-4H2,1H3/t6-,7-,8+/m1/s1