(4-cyano-3-fluoranyl-phenyl) 4-(5-propyl-1,3-dioxan-2-yl)benzoate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(5-propyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(5-propyl-1,3-dioxan-2-yl)benzoate CAS Name: 4-(5-propyl-1,3-dioxan-2-yl)benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(5-propyl-1,3-dioxan-2-yl)benzoate Traditional Name: 4-(5-propyl-1,3-dioxan-2-yl)benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C21H20FNO4 MolecularWeight: 369.386203

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1COC(OC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCC1COC(OC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C21H20FNO4/c1-2-3-14-12-25-21(26-13-14)16-6-4-15(5-7-16)20(24)27-18-9-8-17(11-23)19(22)10-18/h4-10,14,21H,2-3,12-13H2,1H3