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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)C#N

InChI

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