7-[2-ethyl-4-(2-oxidanylethanoyl)phenoxy]-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-[2-ethyl-4-(2-oxidanylethanoyl)phenoxy]-2,2-dimethyl-heptanenitrile Openeye Name: 7-[2-ethyl-4-(2-hydroxyacetyl)phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-[2-ethyl-4-(2-hydroxy-1-oxoethyl)phenoxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[2-ethyl-4-(2-hydroxyacetyl)phenoxy]-2,2-dimethylheptanenitrile Traditional Name: 7-(2-ethyl-4-glycoloyl-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C19H27NO3 MolecularWeight: 317.42258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)CO)OCCCCCC(C)(C)C#N

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)CO)OCCCCCC(C)(C)C#N

InChI

InChI=1S/C19H27NO3/c1-4-15-12-16(17(22)13-21)8-9-18(15)23-11-7-5-6-10-19(2,3)14-20/h8-9,12,21H,4-7,10-11,13H2,1-3H3