tert-butyl 2-[[3-chloranyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[3-chloranyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[3-chloro-4-(2-oxo-1-pyrrolidinyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[3-chloro-4-(2-ketopyrrolidino)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H26ClN3O4 MolecularWeight: 407.89114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O4/c1-20(2,3)28-19(27)24-11-4-6-16(24)18(26)22-13-8-9-15(14(21)12-13)23-10-5-7-17(23)25/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,22,26)