tert-butyl (2R,5S)-2-(4-chloranylpyridin-3-yl)-5-(2-methoxy-2-oxidanylidene-ethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R,5S)-2-(4-chloranylpyridin-3-yl)-5-(2-methoxy-2-oxidanylidene-ethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,5S)-2-(4-chloro-3-pyridyl)-5-(2-methoxy-2-oxo-ethyl)pyrrolidine-1-carboxylate CAS Name: (2R,5S)-2-(4-chloro-3-pyridinyl)-5-(2-methoxy-2-oxoethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,5S)-2-(4-chloropyridin-3-yl)-5-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate Traditional Name: (2R,5S)-2-(4-chloro-3-pyridyl)-5-(2-keto-2-methoxy-ethyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H23ClN2O4 MolecularWeight: 354.82852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O4/c1-17(2,3)24-16(22)20-11(9-15(21)23-4)5-6-14(20)12-10-19-8-7-13(12)18/h7-8,10-11,14H,5-6,9H2,1-4H3/t11-,14+/m0/s1