2-(4-ethoxyphenyl)-4-ethyl-3-oxidanylidene-octanenitrile

Systemtic Name: 2-(4-ethoxyphenyl)-4-ethyl-3-oxidanylidene-octanenitrile Openeye Name: 2-(4-ethoxyphenyl)-4-ethyl-3-oxo-octanenitrile CAS Name: 2-(4-ethoxyphenyl)-4-ethyl-3-oxooctanenitrile IUPAC Name: 2-(4-ethoxyphenyl)-4-ethyl-3-oxooctanenitrile Traditional Name: 4-ethyl-3-keto-2-p-phenetyl-caprylonitrile Formula: C18H25NO2 MolecularWeight: 287.3966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)C(C#N)C1=CC=C(C=C1)OCC

Isomeric SMILES

CCCCC(CC)C(=O)C(C#N)C1=CC=C(C=C1)OCC

InChI

InChI=1S/C18H25NO2/c1-4-7-8-14(5-2)18(20)17(13-19)15-9-11-16(12-10-15)21-6-3/h9-12,14,17H,4-8H2,1-3H3