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

Systemtic Name: (4-propylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-propylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-propylphenyl) ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4/c1-3-5-6-8-18-23-14-20(13-21,15-24-18)19(22)25-17-11-9-16(7-4-2)10-12-17/h9-12,18H,3-8,14-15H2,1-2H3