[(E,1R)-1-cyanooct-2-enyl] benzoate

Systemtic Name: [(E,1R)-1-cyanooct-2-enyl] benzoate Openeye Name: [(E,1R)-1-cyanooct-2-enyl] benzoate CAS Name: benzoic acid [(E,1R)-1-cyanooct-2-enyl] ester IUPAC Name: [(E,1R)-1-cyanooct-2-enyl] benzoate Traditional Name: benzoic acid [(E,1R)-1-cyanooct-2-enyl] ester Formula: C16H19NO2 MolecularWeight: 257.32756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO2/c1-2-3-4-5-9-12-15(13-17)19-16(18)14-10-7-6-8-11-14/h6-12,15H,2-5H2,1H3/b12-9+/t15-/m1/s1