(2R,3S)-3-cyano-2-ethoxycarbonyl-5-methyl-hexanoic acid

Systemtic Name: (2R,3S)-3-cyano-2-ethoxycarbonyl-5-methyl-hexanoic acid Openeye Name: (2R,3S)-3-cyano-2-ethoxycarbonyl-5-methyl-hexanoic acid CAS Name: (2R,3S)-3-cyano-2-ethoxycarbonyl-5-methylhexanoic acid IUPAC Name: (2R,3S)-3-cyano-2-ethoxycarbonyl-5-methylhexanoic acid Traditional Name: (2R,3S)-2-carbethoxy-3-cyano-5-methyl-hexanoic acid Formula: C11H17NO4 MolecularWeight: 227.25698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO4/c1-4-16-11(15)9(10(13)14)8(6-12)5-7(2)3/h7-9H,4-5H2,1-3H3,(H,13,14)/t8-,9-/m1/s1