(4-cyanophenyl) 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoranyl-benzoate

Systemtic Name: (4-cyanophenyl) 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoranyl-benzoate Openeye Name: (4-cyanophenyl) 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoro-benzoate CAS Name: 4-(5-butyl-1,3-dioxan-2-yl)-3-fluorobenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(5-butyl-1,3-dioxan-2-yl)-3-fluorobenzoate Traditional Name: 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoro-benzoic acid (4-cyanophenyl) ester Formula: C22H22FNO4 MolecularWeight: 383.412783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C22H22FNO4/c1-2-3-4-16-13-26-22(27-14-16)19-10-7-17(11-20(19)23)21(25)28-18-8-5-15(12-24)6-9-18/h5-11,16,22H,2-4,13-14H2,1H3