ethyl (2R,3S)-2-cyano-3-methyl-pentanoate

Systemtic Name: ethyl (2R,3S)-2-cyano-3-methyl-pentanoate Openeye Name: ethyl (2R,3S)-2-cyano-3-methyl-pentanoate CAS Name: (2R,3S)-2-cyano-3-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-cyano-3-methylpentanoate Traditional Name: (2R,3S)-2-cyano-3-methyl-valeric acid ethyl ester Formula: C9H15NO2 MolecularWeight: 169.2209

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C#N)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO2/c1-4-7(3)8(6-10)9(11)12-5-2/h7-8H,4-5H2,1-3H3/t7-,8-/m0/s1