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

Systemtic Name: (4-methylphenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate Openeye Name: p-tolyl 2-butyl-5-cyano-1,3-dioxane-5-carboxylate CAS Name: 2-butyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate Traditional Name: 2-butyl-5-cyano-1,3-dioxane-5-carboxylic acid p-tolyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4/c1-3-4-5-15-20-11-17(10-18,12-21-15)16(19)22-14-8-6-13(2)7-9-14/h6-9,15H,3-5,11-12H2,1-2H3