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

Systemtic Name: (4-cyanophenyl) 2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-cyanophenyl) 2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-pentyl-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4/c1-2-3-4-5-16-20-11-14(12-21-16)17(19)22-15-8-6-13(10-18)7-9-15/h6-9,14,16H,2-5,11-12H2,1H3