(4-methylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate

Systemtic Name: (4-methylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: p-tolyl 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-5-cyano-1,3-dioxane-5-carboxylic acid p-tolyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1OCC(CO1)(C#N)C(=O)OC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC1OCC(CO1)(C#N)C(=O)OC2=CC=C(C=C2)C

InChI

InChI=1S/C18H23NO4/c1-3-4-5-6-16-21-12-18(11-19,13-22-16)17(20)23-15-9-7-14(2)8-10-15/h7-10,16H,3-6,12-13H2,1-2H3