(2-butyl-1-benzofuran-3-yl)-[4-[2-[2-[2-[2-[2-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-bis(iodanyl)phenoxy]ethyl-methyl-amino]ethoxy]ethoxy]ethyl-methyl-amino]ethoxy]-3,5-bis(iodanyl)phenyl]methanone

Systemtic Name: (2-butyl-1-benzofuran-3-yl)-[4-[2-[2-[2-[2-[2-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-bis(iodanyl)phenoxy]ethyl-methyl-amino]ethoxy]ethoxy]ethyl-methyl-amino]ethoxy]-3,5-bis(iodanyl)phenyl]methanone Openeye Name: [4-[2-[2-[2-[2-[2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]ethyl-methyl-amino]ethoxy]ethoxy]ethyl-methyl-amino]ethoxy]-3,5-diiodo-phenyl]-(2-butylbenzofuran-3-yl)methanone CAS Name: (2-butyl-3-benzofuranyl)-[4-[2-[2-[2-[2-[2-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]-2,6-diiodophenoxy]ethyl-methylamino]ethoxy]ethoxy]ethyl-methylamino]ethoxy]-3,5-diiodophenyl]methanone IUPAC Name: [4-[2-[2-[2-[2-[2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl-methylamino]ethoxy]ethoxy]ethyl-methylamino]ethoxy]-3,5-diiodophenyl]-(2-butyl-1-benzofuran-3-yl)methanone Traditional Name: [4-[2-[2-[2-[2-[2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]ethyl-methyl-amino]ethoxy]ethoxy]ethyl-methyl-amino]ethoxy]-3,5-diiodo-phenyl]-(2-butylbenzofuran-3-yl)methanone Formula: C50H56I4N2O8 MolecularWeight: 1320.60612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(C)CCOCCOCCN(C)CCOC4=C(C=C(C=C4I)C(=O)C5=C(OC6=CC=CC=C65)CCCC)I)I

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(C)CCOCCOCCN(C)CCOC4=C(C=C(C=C4I)C(=O)C5=C(OC6=CC=CC=C65)CCCC)I)I

InChI

InChI=1S/C50H56I4N2O8/c1-5-7-15-43-45(35-13-9-11-17-41(35)63-43)47(57)33-29-37(51)49(38(52)30-33)61-25-21-55(3)19-23-59-27-28-60-24-20-56(4)22-26-62-50-39(53)31-34(32-40(50)54)48(58)46-36-14-10-12-18-42(36)64-44(46)16-8-6-2/h9-14,17-18,29-32H,5-8,15-16,19-28H2,1-4H3