O1-tert-butyl O2-methyl (2S,5R)-5-pyridin-3-ylpyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2S,5R)-5-pyridin-3-ylpyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2S,5R)-5-(3-pyridyl)pyrrolidine-1,2-dicarboxylate CAS Name: (2S,5R)-5-(3-pyridinyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,5R)-5-pyridin-3-ylpyrrolidine-1,2-dicarboxylate Traditional Name: (2S,5R)-5-(3-pyridyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-12(11-6-5-9-17-10-11)7-8-13(18)14(19)21-4/h5-6,9-10,12-13H,7-8H2,1-4H3/t12-,13+/m1/s1