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

Systemtic Name: (4-cyanophenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-cyanophenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-methyl-2-pentyl-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-2-methyl-1,3-dioxane-5-carboxylic acid (4-cyanophenyl) ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C18H23NO4/c1-3-4-5-10-18(2)21-12-15(13-22-18)17(20)23-16-8-6-14(11-19)7-9-16/h6-9,15H,3-5,10,12-13H2,1-2H3