tert-butyl 3-(2-bromophenyl)carbonyl-2-oxidanylidene-5-[4-(trifluoromethyloxy)phenyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-(2-bromophenyl)carbonyl-2-oxidanylidene-5-[4-(trifluoromethyloxy)phenyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-(2-bromobenzoyl)-2-oxo-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxylate CAS Name: 3-[(2-bromophenyl)-oxomethyl]-2-oxo-5-[4-(trifluoromethoxy)phenyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-bromobenzoyl)-2-oxo-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxylate Traditional Name: 3-(2-bromobenzoyl)-2-keto-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H21BrF3NO5 MolecularWeight: 528.31575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC(C1=O)C(=O)C2=CC=CC=C2Br)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CC(C1=O)C(=O)C2=CC=CC=C2Br)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C23H21BrF3NO5/c1-22(2,3)33-21(31)28-18(13-8-10-14(11-9-13)32-23(25,26)27)12-16(20(28)30)19(29)15-6-4-5-7-17(15)24/h4-11,16,18H,12H2,1-3H3