[(3S)-1-cyanoundec-4-yn-3-yl] butanoate

Systemtic Name: [(3S)-1-cyanoundec-4-yn-3-yl] butanoate Openeye Name: [(1S)-1-(2-cyanoethyl)non-2-ynyl] butanoate CAS Name: butanoic acid [(3S)-1-cyanoundec-4-yn-3-yl] ester IUPAC Name: [(3S)-1-cyanoundec-4-yn-3-yl] butanoate Traditional Name: butyric acid [(1S)-1-(2-cyanoethyl)non-2-ynyl] ester Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC(CCC#N)OC(=O)CCC

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-3-5-6-7-8-9-12-15(13-10-14-17)19-16(18)11-4-2/h15H,3-8,10-11,13H2,1-2H3/t15-/m1/s1