tert-butyl (2S)-2-[(6-chloranylpyridin-3-yl)-methyl-carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(6-chloranylpyridin-3-yl)-methyl-carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(6-chloro-3-pyridyl)-methyl-carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(6-chloro-3-pyridinyl)-methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(6-chloropyridin-3-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(6-chloro-3-pyridyl)-methyl-carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N(C)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N(C)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C16H22ClN3O3/c1-16(2,3)23-15(22)20-9-5-6-12(20)14(21)19(4)11-7-8-13(17)18-10-11/h7-8,10,12H,5-6,9H2,1-4H3/t12-/m0/s1