methyl (2S,5S)-5-(4-chloranylpyridin-3-yl)-1-ethanoyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,5S)-5-(4-chloranylpyridin-3-yl)-1-ethanoyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,5S)-1-acetyl-5-(4-chloro-3-pyridyl)pyrrolidine-2-carboxylate CAS Name: (2S,5S)-1-acetyl-5-(4-chloro-3-pyridinyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,5S)-1-acetyl-5-(4-chloropyridin-3-yl)pyrrolidine-2-carboxylate Traditional Name: (2S,5S)-1-acetyl-5-(4-chloro-3-pyridyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C13H15ClN2O3 MolecularWeight: 282.7228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CCC1C(=O)OC)C2=C(C=CN=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O3/c1-8(17)16-11(3-4-12(16)13(18)19-2)9-7-15-6-5-10(9)14/h5-7,11-12H,3-4H2,1-2H3/t11-,12-/m0/s1