ethyl 2-cyano-4-ethyl-hexanoate

Systemtic Name: ethyl 2-cyano-4-ethyl-hexanoate Openeye Name: ethyl 2-cyano-4-ethyl-hexanoate CAS Name: 2-cyano-4-ethylhexanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-4-ethylhexanoate Traditional Name: 2-cyano-4-ethyl-hexanoic acid ethyl ester Formula: C11H19NO2 MolecularWeight: 197.27406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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