5-(3-fluoranyl-4-octoxy-phenyl)-3-(4-hexoxyphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-(3-fluoranyl-4-octoxy-phenyl)-3-(4-hexoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-(3-fluoro-4-octoxy-phenyl)-3-(4-hexoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-(3-fluoro-4-octoxyphenyl)-3-(4-hexoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-(3-fluoro-4-octoxyphenyl)-3-(4-hexoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-(3-fluoro-4-octoxy-phenyl)-3-(4-hexoxyphenyl)-1,2,4-oxadiazole Formula: C28H37FN2O3 MolecularWeight: 468.603383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)OCCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)OCCCCCC)F

InChI

InChI=1S/C28H37FN2O3/c1-3-5-7-9-10-12-20-33-26-18-15-23(21-25(26)29)28-30-27(31-34-28)22-13-16-24(17-14-22)32-19-11-8-6-4-2/h13-18,21H,3-12,19-20H2,1-2H3