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

Systemtic Name: (4-cyanophenyl) 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylate Openeye Name: (4-cyanophenyl) 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylate CAS Name: 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylate Traditional Name: 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2OCC(CO2)(C)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC1CCC(CC1)C2OCC(CO2)(C)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H29NO4/c1-3-4-16-5-9-18(10-6-16)20-25-14-22(2,15-26-20)21(24)27-19-11-7-17(13-23)8-12-19/h7-8,11-12,16,18,20H,3-6,9-10,14-15H2,1-2H3