2-[[2-[[4-[1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2-methyl-phenyl]carbamoyl]-6-iodanyl-phenyl]carbonylamino]propyl N-(phenylmethyl)carbamate

Systemtic Name: 2-[[2-[[4-[1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2-methyl-phenyl]carbamoyl]-6-iodanyl-phenyl]carbonylamino]propyl N-(phenylmethyl)carbamate Openeye Name: 2-[[2-iodo-6-[[2-methyl-4-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenyl]carbamoyl]benzoyl]amino]propyl N-benzylcarbamate CAS Name: N-(phenylmethyl)carbamic acid 2-[[[2-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylanilino]-oxomethyl]-6-iodophenyl]-oxomethyl]amino]propyl ester IUPAC Name: 2-[[2-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]carbamoyl]-6-iodobenzoyl]amino]propyl N-benzylcarbamate Traditional Name: N-benzylcarbamic acid 2-[[2-iodo-6-[[2-methyl-4-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenyl]carbamoyl]benzoyl]amino]propyl ester Formula: C29H26F6IN3O4 MolecularWeight: 721.429329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C(F)(F)F)C(F)(F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)COC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(C(F)(F)F)C(F)(F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)COC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C29H26F6IN3O4/c1-16-13-19(24(28(30,31)32)29(33,34)35)11-12-22(16)39-25(40)20-9-6-10-21(36)23(20)26(41)38-17(2)15-43-27(42)37-14-18-7-4-3-5-8-18/h3-13,17,24H,14-15H2,1-2H3,(H,37,42)(H,38,41)(H,39,40)