(4-pentylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate

Systemtic Name: (4-pentylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Openeye Name: (4-pentylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Traditional Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-amylphenyl) ester Formula: C20H27NO4 MolecularWeight: 345.43268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2(COC(OC2)CCC)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2(COC(OC2)CCC)C#N

InChI

InChI=1S/C20H27NO4/c1-3-5-6-8-16-9-11-17(12-10-16)25-19(22)20(13-21)14-23-18(7-4-2)24-15-20/h9-12,18H,3-8,14-15H2,1-2H3