[4-(2-cyanoethyl)phenyl] 4-hexyl-1,3-dioxane-5-carboxylate

Systemtic Name: [4-(2-cyanoethyl)phenyl] 4-hexyl-1,3-dioxane-5-carboxylate Openeye Name: [4-(2-cyanoethyl)phenyl] 4-hexyl-1,3-dioxane-5-carboxylate CAS Name: 4-hexyl-1,3-dioxane-5-carboxylic acid [4-(2-cyanoethyl)phenyl] ester IUPAC Name: [4-(2-cyanoethyl)phenyl] 4-hexyl-1,3-dioxane-5-carboxylate Traditional Name: 4-hexyl-1,3-dioxane-5-carboxylic acid [4-(2-cyanoethyl)phenyl] ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(COCO1)C(=O)OC2=CC=C(C=C2)CCC#N

Isomeric SMILES

CCCCCCC1C(COCO1)C(=O)OC2=CC=C(C=C2)CCC#N

InChI

InChI=1S/C20H27NO4/c1-2-3-4-5-8-19-18(14-23-15-24-19)20(22)25-17-11-9-16(10-12-17)7-6-13-21/h9-12,18-19H,2-8,14-15H2,1H3