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

Systemtic Name: (4-propoxyphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Openeye Name: (4-propoxyphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Traditional Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-propoxyphenyl) ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-3-5-16-22-12-18(11-19,13-23-16)17(20)24-15-8-6-14(7-9-15)21-10-4-2/h6-9,16H,3-5,10,12-13H2,1-2H3