tert-butyl 3-[[2-aminocarbonyl-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]methyl]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-aminocarbonyl-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]methyl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]methyl]azetidine-1-carboxylate CAS Name: 3-[[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]methyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]methyl]azetidine-1-carboxylate Traditional Name: 3-[[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]methyl]azetidine-1-carboxylic acid tert-butyl ester Formula: C22H24F2IN3O4 MolecularWeight: 559.344936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C1)COC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C1)COC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N

InChI

InChI=1S/C22H24F2IN3O4/c1-22(2,3)32-21(30)28-9-12(10-28)11-31-18-7-13(23)6-17(19(18)20(26)29)27-16-5-4-14(25)8-15(16)24/h4-8,12,27H,9-11H2,1-3H3,(H2,26,29)