(4-pentylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate

Systemtic Name: (4-pentylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-pentylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-amylphenyl) ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1OCC(CO1)(C#N)C(=O)OC2=CC=C(C=C2)CCCCC

Isomeric SMILES

CCCCCC1OCC(CO1)(C#N)C(=O)OC2=CC=C(C=C2)CCCCC

InChI

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