O1-tert-butyl O2-methyl (2S,4S)-4-(4-bromanylphenoxy)pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2S,4S)-4-(4-bromanylphenoxy)pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2S,4S)-4-(4-bromophenoxy)pyrrolidine-1,2-dicarboxylate CAS Name: (2S,4S)-4-(4-bromophenoxy)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-bromophenoxy)pyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4S)-4-(4-bromophenoxy)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C17H22BrNO5 MolecularWeight: 400.26428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H22BrNO5/c1-17(2,3)24-16(21)19-10-13(9-14(19)15(20)22-4)23-12-7-5-11(18)6-8-12/h5-8,13-14H,9-10H2,1-4H3/t13-,14-/m0/s1