tert-butyl (2S,5R)-2-(3-bromanylpropyl)-5-pyridin-3-yl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,5R)-2-(3-bromanylpropyl)-5-pyridin-3-yl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,5R)-2-(3-bromopropyl)-5-(3-pyridyl)pyrrolidine-1-carboxylate CAS Name: (2S,5R)-2-(3-bromopropyl)-5-(3-pyridinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5R)-2-(3-bromopropyl)-5-pyridin-3-ylpyrrolidine-1-carboxylate Traditional Name: (2S,5R)-2-(3-bromopropyl)-5-(3-pyridyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H25BrN2O2 MolecularWeight: 369.2966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CCC1C2=CN=CC=C2)CCCBr

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O2/c1-17(2,3)22-16(21)20-14(7-4-10-18)8-9-15(20)13-6-5-11-19-12-13/h5-6,11-12,14-15H,4,7-10H2,1-3H3/t14-,15-/m1/s1