tert-butyl (2S)-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[oxo-[3-(2-oxo-1-pyrrolidinyl)anilino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[3-(2-ketopyrrolidino)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC=CC(=C2)N3CCCC3=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=CC=CC(=C2)N3CCCC3=O

InChI

InChI=1S/C20H27N3O4/c1-20(2,3)27-19(26)23-12-5-9-16(23)18(25)21-14-7-4-8-15(13-14)22-11-6-10-17(22)24/h4,7-8,13,16H,5-6,9-12H2,1-3H3,(H,21,25)/t16-/m0/s1