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

Systemtic Name: tert-butyl 3-[[2-aminocarbonyl-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 3-[[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]methyl]piperazine-1-carboxylate CAS Name: 3-[[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]methyl]piperazine-1-carboxylate Traditional Name: 3-[[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H27F2IN4O4 MolecularWeight: 588.386156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC(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)N1CCNC(C1)COC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N

InChI

InChI=1S/C23H27F2IN4O4/c1-23(2,3)34-22(32)30-7-6-28-15(11-30)12-33-19-9-13(24)8-18(20(19)21(27)31)29-17-5-4-14(26)10-16(17)25/h4-5,8-10,15,28-29H,6-7,11-12H2,1-3H3,(H2,27,31)