O1-tert-butyl O3-methyl (3S,4R)-4-(2-chloranyl-4-iodanyl-pyridin-3-yl)pyrrolidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-methyl (3S,4R)-4-(2-chloranyl-4-iodanyl-pyridin-3-yl)pyrrolidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-methyl (3S,4R)-4-(2-chloro-4-iodo-3-pyridyl)pyrrolidine-1,3-dicarboxylate CAS Name: (3S,4R)-4-(2-chloro-4-iodo-3-pyridinyl)pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester IUPAC Name: 1-O-tert-butyl 3-O-methyl (3S,4R)-4-(2-chloro-4-iodopyridin-3-yl)pyrrolidine-1,3-dicarboxylate Traditional Name: (3S,4R)-4-(2-chloro-4-iodo-3-pyridyl)pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester Formula: C16H20ClIN2O4 MolecularWeight: 466.69847

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)C(=O)OC)C2=C(C=CN=C2Cl)I

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)OC)C2=C(C=CN=C2Cl)I

InChI

InChI=1S/C16H20ClIN2O4/c1-16(2,3)24-15(22)20-7-9(10(8-20)14(21)23-4)12-11(18)5-6-19-13(12)17/h5-6,9-10H,7-8H2,1-4H3/t9-,10-/m1/s1