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

Systemtic Name: (4-propylphenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate Openeye Name: (4-propylphenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate CAS Name: 2-butyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate Traditional Name: 2-butyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-propylphenyl) ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO4/c1-3-5-7-17-22-13-19(12-20,14-23-17)18(21)24-16-10-8-15(6-4-2)9-11-16/h8-11,17H,3-7,13-14H2,1-2H3