(4-cyanophenyl) 2-octyl-1,3-dioxane-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)C#N

InChI

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