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

Systemtic Name: (4-butylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Openeye Name: (4-butylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Traditional Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-butylphenyl) ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)C2(COC(OC2)CCC)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)C2(COC(OC2)CCC)C#N

InChI

InChI=1S/C19H25NO4/c1-3-5-7-15-8-10-16(11-9-15)24-18(21)19(12-20)13-22-17(6-4-2)23-14-19/h8-11,17H,3-7,13-14H2,1-2H3