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

Systemtic Name: (4-heptylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-heptylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 5-cyano-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-5-cyano-1,3-dioxane-5-carboxylic acid (4-heptylphenyl) ester Formula: C24H35NO4 MolecularWeight: 401.539

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2(COC(OC2)CCCCC)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2(COC(OC2)CCCCC)C#N

InChI

InChI=1S/C24H35NO4/c1-3-5-7-8-10-11-20-13-15-21(16-14-20)29-23(26)24(17-25)18-27-22(28-19-24)12-9-6-4-2/h13-16,22H,3-12,18-19H2,1-2H3