tert-butyl 2-[[5-chloranyl-2-[(3-oxidanylazetidin-1-yl)methyl]phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[5-chloranyl-2-[(3-oxidanylazetidin-1-yl)methyl]phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[5-chloro-2-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[5-chloro-2-[(3-hydroxy-1-azetidinyl)methyl]phenyl]methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-chloro-2-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[5-chloro-2-[(3-hydroxyazetidin-1-yl)methyl]benzyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H30ClN3O4 MolecularWeight: 423.9336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC2=C(C=CC(=C2)Cl)CN3CC(C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC2=C(C=CC(=C2)Cl)CN3CC(C3)O

InChI

InChI=1S/C21H30ClN3O4/c1-21(2,3)29-20(28)25-8-4-5-18(25)19(27)23-10-15-9-16(22)7-6-14(15)11-24-12-17(26)13-24/h6-7,9,17-18,26H,4-5,8,10-13H2,1-3H3,(H,23,27)