ethyl (3S,5R)-3-cyano-5-methyl-octanoate

Systemtic Name: ethyl (3S,5R)-3-cyano-5-methyl-octanoate Openeye Name: ethyl (3S,5R)-3-cyano-5-methyl-octanoate CAS Name: (3S,5R)-3-cyano-5-methyloctanoic acid ethyl ester IUPAC Name: ethyl (3S,5R)-3-cyano-5-methyloctanoate Traditional Name: (3S,5R)-3-cyano-5-methyl-caprylic acid ethyl ester Formula: C12H21NO2 MolecularWeight: 211.30064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(CC(=O)OCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO2/c1-4-6-10(3)7-11(9-13)8-12(14)15-5-2/h10-11H,4-8H2,1-3H3/t10-,11+/m1/s1