(4-ethylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate

Systemtic Name: (4-ethylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Openeye Name: (4-ethylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Traditional Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-ethylphenyl) ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1OCC(CO1)(C#N)C(=O)OC2=CC=C(C=C2)CC

Isomeric SMILES

CCCC1OCC(CO1)(C#N)C(=O)OC2=CC=C(C=C2)CC

InChI

InChI=1S/C17H21NO4/c1-3-5-15-20-11-17(10-18,12-21-15)16(19)22-14-8-6-13(4-2)7-9-14/h6-9,15H,3-5,11-12H2,1-2H3