O1-tert-butyl O3-methyl (3S,4S)-4-(4-chloranylpyridin-3-yl)pyrrolidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-methyl (3S,4S)-4-(4-chloranylpyridin-3-yl)pyrrolidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-methyl (3S,4S)-4-(4-chloro-3-pyridyl)pyrrolidine-1,3-dicarboxylate CAS Name: (3S,4S)-4-(4-chloro-3-pyridinyl)pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester IUPAC Name: 1-O-tert-butyl 3-O-methyl (3S,4S)-4-(4-chloropyridin-3-yl)pyrrolidine-1,3-dicarboxylate Traditional Name: (3S,4S)-4-(4-chloro-3-pyridyl)pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester Formula: C16H21ClN2O4 MolecularWeight: 340.80194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)C(=O)OC)C2=C(C=CN=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]([C@@H](C1)C(=O)OC)C2=C(C=CN=C2)Cl

InChI

InChI=1S/C16H21ClN2O4/c1-16(2,3)23-15(21)19-8-11(12(9-19)14(20)22-4)10-7-18-6-5-13(10)17/h5-7,11-12H,8-9H2,1-4H3/t11-,12-/m1/s1