methyl (1S,2R,3R,6R)-1-cyano-2-(furan-3-yl)-3-methanoyl-6-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R,3R,6R)-1-cyano-2-(furan-3-yl)-3-methanoyl-6-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R,3R,6R)-1-cyano-3-formyl-2-(3-furyl)-6-hydroxy-cyclohexanecarboxylate CAS Name: (1S,2R,3R,6R)-1-cyano-3-formyl-2-(3-furanyl)-6-hydroxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,3R,6R)-1-cyano-3-formyl-2-(furan-3-yl)-6-hydroxycyclohexane-1-carboxylate Traditional Name: (1S,2R,3R,6R)-1-cyano-3-formyl-2-(3-furyl)-6-hydroxy-cyclohexanecarboxylic acid methyl ester Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CCC(C1C2=COC=C2)C=O)O)C#N

Isomeric SMILES

COC(=O)[C@]1([C@@H](CC[C@H]([C@@H]1C2=COC=C2)C=O)O)C#N

InChI

InChI=1S/C14H15NO5/c1-19-13(18)14(8-15)11(17)3-2-9(6-16)12(14)10-4-5-20-7-10/h4-7,9,11-12,17H,2-3H2,1H3/t9-,11+,12+,14-/m0/s1