(4-butoxyphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate

Systemtic Name: (4-butoxyphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-butoxyphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-butoxyphenyl) ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1OCC(CO1)(C#N)C(=O)OC2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCCC1OCC(CO1)(C#N)C(=O)OC2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C21H29NO5/c1-3-5-7-8-19-25-15-21(14-22,16-26-19)20(23)27-18-11-9-17(10-12-18)24-13-6-4-2/h9-12,19H,3-8,13,15-16H2,1-2H3