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

Systemtic Name: (4-methylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Openeye Name: p-tolyl 5-cyano-2-propyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Traditional Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid p-tolyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4/c1-3-4-14-19-10-16(9-17,11-20-14)15(18)21-13-7-5-12(2)6-8-13/h5-8,14H,3-4,10-11H2,1-2H3