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

Systemtic Name: (4-heptylphenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate Openeye Name: (4-heptylphenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate CAS Name: 2-butyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate Traditional Name: 2-butyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-heptylphenyl) ester Formula: C23H33NO4 MolecularWeight: 387.51242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2(COC(OC2)CCCC)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2(COC(OC2)CCCC)C#N

InChI

InChI=1S/C23H33NO4/c1-3-5-7-8-9-10-19-12-14-20(15-13-19)28-22(25)23(16-24)17-26-21(27-18-23)11-6-4-2/h12-15,21H,3-11,17-18H2,1-2H3