ditert-butyl (2S,4S)-4-[(4-bromophenyl)methyl]pyrrolidine-1,2-dicarboxylate

Systemtic Name: ditert-butyl (2S,4S)-4-[(4-bromophenyl)methyl]pyrrolidine-1,2-dicarboxylate Openeye Name: ditert-butyl (2S,4S)-4-[(4-bromophenyl)methyl]pyrrolidine-1,2-dicarboxylate CAS Name: (2S,4S)-4-[(4-bromophenyl)methyl]pyrrolidine-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S,4S)-4-[(4-bromophenyl)methyl]pyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4S)-4-(4-bromobenzyl)pyrrolidine-1,2-dicarboxylic acid ditert-butyl ester Formula: C21H30BrNO4 MolecularWeight: 440.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(CN1C(=O)OC(C)(C)C)CC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H30BrNO4/c1-20(2,3)26-18(24)17-12-15(11-14-7-9-16(22)10-8-14)13-23(17)19(25)27-21(4,5)6/h7-10,15,17H,11-13H2,1-6H3/t15-,17-/m0/s1