tert-butyl 3-[4-[3-(4-bromophenyl)oxiran-2-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylate

Systemtic Name: tert-butyl 3-[4-[3-(4-bromophenyl)oxiran-2-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: tert-butyl 3-[4-[3-(4-bromophenyl)oxiran-2-yl]phenyl]-4,5-dihydroisoxazole-5-carboxylate CAS Name: 3-[4-[3-(4-bromophenyl)-2-oxiranyl]phenyl]-4,5-dihydroisoxazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[3-(4-bromophenyl)oxiran-2-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: 3-[4-[3-(4-bromophenyl)oxiran-2-yl]phenyl]-2-isoxazoline-5-carboxylic acid tert-butyl ester Formula: C22H22BrNO4 MolecularWeight: 444.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(=NO1)C2=CC=C(C=C2)C3C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1CC(=NO1)C2=CC=C(C=C2)C3C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrNO4/c1-22(2,3)27-21(25)18-12-17(24-28-18)13-4-6-14(7-5-13)19-20(26-19)15-8-10-16(23)11-9-15/h4-11,18-20H,12H2,1-3H3