tert-butyl 6-[2-aminocarbonyl-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]indole-1-carboxylate

Systemtic Name: tert-butyl 6-[2-aminocarbonyl-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]indole-1-carboxylate Openeye Name: tert-butyl 6-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]indole-1-carboxylate CAS Name: 6-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]indole-1-carboxylate Traditional Name: 6-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]indole-1-carboxylic acid tert-butyl ester Formula: C26H22F2IN3O4 MolecularWeight: 605.371856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)OC3=C(C(=CC(=C3)F)NC4=C(C=C(C=C4)I)F)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)OC3=C(C(=CC(=C3)F)NC4=C(C=C(C=C4)I)F)C(=O)N

InChI

InChI=1S/C26H22F2IN3O4/c1-26(2,3)36-25(34)32-9-8-14-4-6-17(13-21(14)32)35-22-11-15(27)10-20(23(22)24(30)33)31-19-7-5-16(29)12-18(19)28/h4-13,31H,1-3H3,(H2,30,33)