[(2R,3R,4S,5R)-1-cyano-5-methoxy-2,4-dimethyl-6-oxidanyl-hexan-3-yl] propanoate

Systemtic Name: [(2R,3R,4S,5R)-1-cyano-5-methoxy-2,4-dimethyl-6-oxidanyl-hexan-3-yl] propanoate Openeye Name: [(1R,2S,3R)-1-[(1R)-2-cyano-1-methyl-ethyl]-4-hydroxy-3-methoxy-2-methyl-butyl] propanoate CAS Name: propanoic acid [(2R,3R,4S,5R)-1-cyano-6-hydroxy-5-methoxy-2,4-dimethylhexan-3-yl] ester IUPAC Name: [(2R,3R,4S,5R)-1-cyano-6-hydroxy-5-methoxy-2,4-dimethylhexan-3-yl] propanoate Traditional Name: propionic acid [(1R,2S,3R)-1-[(1R)-2-cyano-1-methyl-ethyl]-4-hydroxy-3-methoxy-2-methyl-butyl] ester Formula: C13H23NO4 MolecularWeight: 257.32602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C(C)CC#N)C(C)C(CO)OC

Isomeric SMILES

CCC(=O)O[C@H]([C@H](C)CC#N)[C@H](C)[C@H](CO)OC

InChI

InChI=1S/C13H23NO4/c1-5-12(16)18-13(9(2)6-7-14)10(3)11(8-15)17-4/h9-11,13,15H,5-6,8H2,1-4H3/t9-,10-,11+,13-/m1/s1