[(E)-1-cyano-4,7-dimethyl-non-7-en-5-yn-4-yl] ethanoate

Systemtic Name: [(E)-1-cyano-4,7-dimethyl-non-7-en-5-yn-4-yl] ethanoate Openeye Name: [(E)-1-(3-cyanopropyl)-1,4-dimethyl-hex-4-en-2-ynyl] acetate CAS Name: acetic acid [(E)-1-cyano-4,7-dimethylnon-7-en-5-yn-4-yl] ester IUPAC Name: [(E)-1-cyano-4,7-dimethylnon-7-en-5-yn-4-yl] acetate Traditional Name: acetic acid [(E)-1-(3-cyanopropyl)-1,4-dimethyl-hex-4-en-2-ynyl] ester Formula: C14H19NO2 MolecularWeight: 233.30616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO2/c1-5-12(2)8-10-14(4,17-13(3)16)9-6-7-11-15/h5H,6-7,9H2,1-4H3/b12-5+