ethanedioic acid; propan-2-yl (3S)-2-(3-bromophenyl)pyrrolidine-3-carboxylate

Systemtic Name: ethanedioic acid; propan-2-yl (3S)-2-(3-bromophenyl)pyrrolidine-3-carboxylate Openeye Name: isopropyl (3S)-2-(3-bromophenyl)pyrrolidine-3-carboxylate; oxalic acid CAS Name: (3S)-2-(3-bromophenyl)-3-pyrrolidinecarboxylic acid propan-2-yl ester; oxalic acid IUPAC Name: oxalic acid; propan-2-yl (3S)-2-(3-bromophenyl)pyrrolidine-3-carboxylate Traditional Name: (3S)-2-(3-bromophenyl)pyrrolidine-3-carboxylic acid isopropyl ester; oxalic acid Formula: C16H20BrNO6 MolecularWeight: 402.2371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCNC1C2=CC(=CC=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OC(=O)[C@H]1CCNC1C2=CC(=CC=C2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H18BrNO2.C2H2O4/c1-9(2)18-14(17)12-6-7-16-13(12)10-4-3-5-11(15)8-10;3-1(4)2(5)6/h3-5,8-9,12-13,16H,6-7H2,1-2H3;(H,3,4)(H,5,6)/t12-,13?;/m0./s1