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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2(COC(OC2)CCCC)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2(COC(OC2)CCCC)C#N

InChI

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