O1-tert-butyl O3-methyl (3S,4S)-4-(5-bromanyl-3-methoxy-pyridin-2-yl)pyrrolidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-methyl (3S,4S)-4-(5-bromanyl-3-methoxy-pyridin-2-yl)pyrrolidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-methyl (3S,4S)-4-(5-bromo-3-methoxy-2-pyridyl)pyrrolidine-1,3-dicarboxylate CAS Name: (3S,4S)-4-(5-bromo-3-methoxy-2-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-(5-bromo-3-methoxypyridin-2-yl)pyrrolidine-1,3-dicarboxylate Traditional Name: (3S,4S)-4-(5-bromo-3-methoxy-2-pyridyl)pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester Formula: C17H23BrN2O5 MolecularWeight: 415.27892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)C(=O)OC)C2=NC=C(C=C2OC)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)OC)C2=NC=C(C=C2OC)Br

InChI

InChI=1S/C17H23BrN2O5/c1-17(2,3)25-16(22)20-8-11(12(9-20)15(21)24-5)14-13(23-4)6-10(18)7-19-14/h6-7,11-12H,8-9H2,1-5H3/t11-,12-/m1/s1