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

Systemtic Name: (4-propylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Openeye Name: (4-propylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 5-cyano-2-propyl-1,3-dioxane-5-carboxylate Traditional Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid (4-propylphenyl) ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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