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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)C#N

InChI

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