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

Systemtic Name: (4-cyanophenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate Openeye Name: (4-cyanophenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate CAS Name: 2-butyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate Traditional Name: 2-butyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-2-3-4-15-21-11-17(10-19,12-22-15)16(20)23-14-7-5-13(9-18)6-8-14/h5-8,15H,2-4,11-12H2,1H3