(4-butoxyphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate

Systemtic Name: (4-butoxyphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-butoxyphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-methyl-2-pentyl-1,3-dioxane-5-carboxylic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-2-methyl-1,3-dioxane-5-carboxylic acid (4-butoxyphenyl) ester Formula: C21H32O5 MolecularWeight: 364.47578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)OCCCC)C

Isomeric SMILES

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)OCCCC)C

InChI

InChI=1S/C21H32O5/c1-4-6-8-13-21(3)24-15-17(16-25-21)20(22)26-19-11-9-18(10-12-19)23-14-7-5-2/h9-12,17H,4-8,13-16H2,1-3H3