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

Systemtic Name: (4-butoxyphenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate Openeye Name: (4-butoxyphenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate CAS Name: 2-butyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 2-butyl-5-cyano-1,3-dioxane-5-carboxylate Traditional Name: 2-butyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-butoxyphenyl) ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-3-5-7-18-24-14-20(13-21,15-25-18)19(22)26-17-10-8-16(9-11-17)23-12-6-4-2/h8-11,18H,3-7,12,14-15H2,1-2H3