ditert-butyl (2S,4E)-5-oxidanylidene-4-[(pyridin-2-ylamino)methylidene]pyrrolidine-1,2-dicarboxylate

Systemtic Name: ditert-butyl (2S,4E)-5-oxidanylidene-4-[(pyridin-2-ylamino)methylidene]pyrrolidine-1,2-dicarboxylate Openeye Name: ditert-butyl (2S,4E)-5-oxo-4-[(2-pyridylamino)methylene]pyrrolidine-1,2-dicarboxylate CAS Name: (2S,4E)-5-oxo-4-[(2-pyridinylamino)methylidene]pyrrolidine-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S,4E)-5-oxo-4-[(pyridin-2-ylamino)methylidene]pyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4E)-5-keto-4-[(2-pyridylamino)methylene]pyrrolidine-1,2-dicarboxylic acid ditert-butyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(=CNC2=CC=CC=N2)C(=O)N1C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1C/C(=C\NC2=CC=CC=N2)/C(=O)N1C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N3O5/c1-19(2,3)27-17(25)14-11-13(12-22-15-9-7-8-10-21-15)16(24)23(14)18(26)28-20(4,5)6/h7-10,12,14H,11H2,1-6H3,(H,21,22)/b13-12+/t14-/m0/s1