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

Systemtic Name: (4-butoxyphenyl) 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylate Openeye Name: (4-butoxyphenyl) 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylate CAS Name: 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylate Traditional Name: 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylic acid (4-butoxyphenyl) ester Formula: C25H38O5 MolecularWeight: 418.56622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC(=O)C2(COC(OC2)C3CCC(CC3)CCC)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC(=O)C2(COC(OC2)C3CCC(CC3)CCC)C

InChI

InChI=1S/C25H38O5/c1-4-6-16-27-21-12-14-22(15-13-21)30-24(26)25(3)17-28-23(29-18-25)20-10-8-19(7-5-2)9-11-20/h12-15,19-20,23H,4-11,16-18H2,1-3H3