O1-tert-butyl O2-methyl (2R,5S)-5-(4-chloranylpyridin-3-yl)pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2R,5S)-5-(4-chloranylpyridin-3-yl)pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2R,5S)-5-(4-chloro-3-pyridyl)pyrrolidine-1,2-dicarboxylate CAS Name: (2R,5S)-5-(4-chloro-3-pyridinyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2R,5S)-5-(4-chloropyridin-3-yl)pyrrolidine-1,2-dicarboxylate Traditional Name: (2R,5S)-5-(4-chloro-3-pyridyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C16H21ClN2O4 MolecularWeight: 340.80194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CCC1C(=O)OC)C2=C(C=CN=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](CC[C@@H]1C(=O)OC)C2=C(C=CN=C2)Cl

InChI

InChI=1S/C16H21ClN2O4/c1-16(2,3)23-15(21)19-12(5-6-13(19)14(20)22-4)10-9-18-8-7-11(10)17/h7-9,12-13H,5-6H2,1-4H3/t12-,13+/m0/s1