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

Systemtic Name: methyl (3S,5R)-3-cyano-5-methyl-octanoate Openeye Name: methyl (3S,5R)-3-cyano-5-methyl-octanoate CAS Name: (3S,5R)-3-cyano-5-methyloctanoic acid methyl ester IUPAC Name: methyl (3S,5R)-3-cyano-5-methyloctanoate Traditional Name: (3S,5R)-3-cyano-5-methyl-caprylic acid methyl ester Formula: C11H19NO2 MolecularWeight: 197.27406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19NO2/c1-4-5-9(2)6-10(8-12)7-11(13)14-3/h9-10H,4-7H2,1-3H3/t9-,10+/m1/s1