5-[(2-bromanyl-4-tert-butyl-phenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(2-bromanyl-4-tert-butyl-phenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-[(2-bromo-4-tert-butyl-phenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-[(2-bromo-4-tert-butylphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(2-bromo-4-tert-butylphenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[(2-bromo-4-tert-butyl-phenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)OC)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)OC)Br

InChI

InChI=1S/C20H21BrN2O3/c1-20(2,3)14-7-10-17(16(21)11-14)25-12-18-22-19(23-26-18)13-5-8-15(24-4)9-6-13/h5-11H,12H2,1-4H3