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

Systemtic Name: (4-cyanophenyl) 2-butyl-1,3-dioxane-5-carboxylate Openeye Name: (4-cyanophenyl) 2-butyl-1,3-dioxane-5-carboxylate CAS Name: 2-butyl-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-butyl-1,3-dioxane-5-carboxylate Traditional Name: 2-butyl-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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