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

Systemtic Name: [4-(2-cyanoethyl)phenyl] 4-octyl-1,3-dioxane-5-carboxylate Openeye Name: [4-(2-cyanoethyl)phenyl] 4-octyl-1,3-dioxane-5-carboxylate CAS Name: 4-octyl-1,3-dioxane-5-carboxylic acid [4-(2-cyanoethyl)phenyl] ester IUPAC Name: [4-(2-cyanoethyl)phenyl] 4-octyl-1,3-dioxane-5-carboxylate Traditional Name: 4-octyl-1,3-dioxane-5-carboxylic acid [4-(2-cyanoethyl)phenyl] ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(COCO1)C(=O)OC2=CC=C(C=C2)CCC#N

Isomeric SMILES

CCCCCCCCC1C(COCO1)C(=O)OC2=CC=C(C=C2)CCC#N

InChI

InChI=1S/C22H31NO4/c1-2-3-4-5-6-7-10-21-20(16-25-17-26-21)22(24)27-19-13-11-18(12-14-19)9-8-15-23/h11-14,20-21H,2-10,16-17H2,1H3