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

Systemtic Name: (4-butylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-butylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-butylphenyl) ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO4/c1-3-5-7-9-19-24-15-21(14-22,16-25-19)20(23)26-18-12-10-17(11-13-18)8-6-4-2/h10-13,19H,3-9,15-16H2,1-2H3