O4-tert-butyl O2-methyl (2S,4S,5R)-5-(4-bromophenyl)pyrrolidine-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-methyl (2S,4S,5R)-5-(4-bromophenyl)pyrrolidine-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-methyl (2S,4S,5R)-5-(4-bromophenyl)pyrrolidine-2,4-dicarboxylate CAS Name: (2S,4S,5R)-5-(4-bromophenyl)pyrrolidine-2,4-dicarboxylic acid O4-tert-butyl ester O2-methyl ester IUPAC Name: 4-O-tert-butyl 2-O-methyl (2S,4S,5R)-5-(4-bromophenyl)pyrrolidine-2,4-dicarboxylate Traditional Name: (2S,4S,5R)-5-(4-bromophenyl)pyrrolidine-2,4-dicarboxylic acid O4-tert-butyl ester O2-methyl ester Formula: C17H22BrNO4 MolecularWeight: 384.26488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(NC1C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrNO4/c1-17(2,3)23-15(20)12-9-13(16(21)22-4)19-14(12)10-5-7-11(18)8-6-10/h5-8,12-14,19H,9H2,1-4H3/t12-,13-,14-/m0/s1