(4-butylphenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1OCC(CO1)(C#N)C(=O)OC2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCC1OCC(CO1)(C#N)C(=O)OC2=CC=C(C=C2)CCCC

InChI

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