(4-cyanophenyl) 4-(5-ethyl-4-methyl-1,3-dioxan-2-yl)benzoate

Systemtic Name: (4-cyanophenyl) 4-(5-ethyl-4-methyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-cyanophenyl) 4-(5-ethyl-4-methyl-1,3-dioxan-2-yl)benzoate CAS Name: 4-(5-ethyl-4-methyl-1,3-dioxan-2-yl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(5-ethyl-4-methyl-1,3-dioxan-2-yl)benzoate Traditional Name: 4-(5-ethyl-4-methyl-1,3-dioxan-2-yl)benzoic acid (4-cyanophenyl) ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC(OC1C)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1COC(OC1C)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21NO4/c1-3-16-13-24-21(25-14(16)2)18-8-6-17(7-9-18)20(23)26-19-10-4-15(12-22)5-11-19/h4-11,14,16,21H,3,13H2,1-2H3