[(E,3S)-1-cyanooct-1-en-3-yl] (2S)-2-acetyloxy-2-phenyl-ethanoate

Systemtic Name: [(E,3S)-1-cyanooct-1-en-3-yl] (2S)-2-acetyloxy-2-phenyl-ethanoate Openeye Name: [(1S)-1-[(E)-2-cyanovinyl]hexyl] (2S)-2-acetoxy-2-phenyl-acetate CAS Name: (2S)-2-acetyloxy-2-phenylacetic acid [(E,3S)-1-cyanooct-1-en-3-yl] ester IUPAC Name: [(E,3S)-1-cyanooct-1-en-3-yl] (2S)-2-acetyloxy-2-phenylacetate Traditional Name: (2S)-2-acetoxy-2-phenyl-acetic acid [(E,1S)-1-amyl-3-cyano-allyl] ester Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC#N)OC(=O)C(C1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CCCCC[C@@H](/C=C/C#N)OC(=O)[C@H](C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C19H23NO4/c1-3-4-6-12-17(13-9-14-20)24-19(22)18(23-15(2)21)16-10-7-5-8-11-16/h5,7-11,13,17-18H,3-4,6,12H2,1-2H3/b13-9+/t17-,18-/m0/s1