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

Systemtic Name: (4-cyanophenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Openeye Name: (4-cyanophenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Traditional Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1OCC(CO1)(C#N)C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC1OCC(CO1)(C#N)C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H16N2O4/c1-2-3-14-20-10-16(9-18,11-21-14)15(19)22-13-6-4-12(8-17)5-7-13/h4-7,14H,2-3,10-11H2,1H3