O1-(2,4-dimethylpentan-3-yl) O4-ethyl (2S,3R)-2-cyano-2-methyl-3-oxidanyl-butanedioate

Systemtic Name: O1-(2,4-dimethylpentan-3-yl) O4-ethyl (2S,3R)-2-cyano-2-methyl-3-oxidanyl-butanedioate Openeye Name: O4-ethyl O1-(1-isopropyl-2-methyl-propyl) (2S,3R)-2-cyano-3-hydroxy-2-methyl-butanedioate CAS Name: (2S,3R)-2-cyano-3-hydroxy-2-methylbutanedioic acid O1-(2,4-dimethylpentan-3-yl) ester O4-ethyl ester IUPAC Name: 1-O-(2,4-dimethylpentan-3-yl) 4-O-ethyl (2S,3R)-2-cyano-3-hydroxy-2-methylbutanedioate Traditional Name: (2S,3R)-2-cyano-3-hydroxy-2-methyl-succinic acid O4-ethyl ester O1-(1-isopropyl-2-methyl-propyl) ester Formula: C15H25NO5 MolecularWeight: 299.3627

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)(C#N)C(=O)OC(C(C)C)C(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO5/c1-7-20-13(18)12(17)15(6,8-16)14(19)21-11(9(2)3)10(4)5/h9-12,17H,7H2,1-6H3/t12-,15-/m0/s1