O1-tert-butyl O2-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 2-O-[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C17H22ClN3O5 MolecularWeight: 383.82668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C17H22ClN3O5/c1-17(2,3)26-16(24)21-9-5-7-12(21)15(23)25-10-13(22)20-11-6-4-8-19-14(11)18/h4,6,8,12H,5,7,9-10H2,1-3H3,(H,20,22)/t12-/m0/s1