(4-cyanophenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate

Systemtic Name: (4-cyanophenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-cyanophenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester Formula: C18H20N2O4 MolecularWeight: 328.3624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1OCC(CO1)(C#N)C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCC1OCC(CO1)(C#N)C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H20N2O4/c1-2-3-4-5-16-22-12-18(11-20,13-23-16)17(21)24-15-8-6-14(10-19)7-9-15/h6-9,16H,2-5,12-13H2,1H3