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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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