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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)C#N

InChI

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