ethyl 2-cyano-3-methyl-octanoate

Systemtic Name: ethyl 2-cyano-3-methyl-octanoate Openeye Name: ethyl 2-cyano-3-methyl-octanoate CAS Name: 2-cyano-3-methyloctanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-methyloctanoate Traditional Name: 2-cyano-3-methyl-caprylic acid ethyl ester Formula: C12H21NO2 MolecularWeight: 211.30064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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