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

Systemtic Name: (4-butoxyphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Openeye Name: (4-butoxyphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Traditional Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-butoxyphenyl) ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC(=O)C2(COC(OC2)CCC)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC(=O)C2(COC(OC2)CCC)C#N

InChI

InChI=1S/C19H25NO5/c1-3-5-11-22-15-7-9-16(10-8-15)25-18(21)19(12-20)13-23-17(6-4-2)24-14-19/h7-10,17H,3-6,11,13-14H2,1-2H3