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

Systemtic Name: [4-(2-cyanoethyl)phenyl] 4-nonyl-1,3-dioxane-5-carboxylate Openeye Name: [4-(2-cyanoethyl)phenyl] 4-nonyl-1,3-dioxane-5-carboxylate CAS Name: 4-nonyl-1,3-dioxane-5-carboxylic acid [4-(2-cyanoethyl)phenyl] ester IUPAC Name: [4-(2-cyanoethyl)phenyl] 4-nonyl-1,3-dioxane-5-carboxylate Traditional Name: 4-nonyl-1,3-dioxane-5-carboxylic acid [4-(2-cyanoethyl)phenyl] ester Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1C(COCO1)C(=O)OC2=CC=C(C=C2)CCC#N

Isomeric SMILES

CCCCCCCCCC1C(COCO1)C(=O)OC2=CC=C(C=C2)CCC#N

InChI

InChI=1S/C23H33NO4/c1-2-3-4-5-6-7-8-11-22-21(17-26-18-27-22)23(25)28-20-14-12-19(13-15-20)10-9-16-24/h12-15,21-22H,2-11,17-18H2,1H3