ethyl 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate

Systemtic Name: ethyl 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: ethyl 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-5-cyano-1,3-dioxane-5-carboxylic acid ethyl ester Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1OCC(CO1)(C#N)C(=O)OCC

Isomeric SMILES

CCCCCC1OCC(CO1)(C#N)C(=O)OCC

InChI

InChI=1S/C13H21NO4/c1-3-5-6-7-11-17-9-13(8-14,10-18-11)12(15)16-4-2/h11H,3-7,9-10H2,1-2H3