2-[4-[(2-butyl-1-benzofuran-3-yl)-methoxy-methyl]-2,6-bis(iodanyl)phenoxy]-N,N-diethyl-ethanamine

Systemtic Name: 2-[4-[(2-butyl-1-benzofuran-3-yl)-methoxy-methyl]-2,6-bis(iodanyl)phenoxy]-N,N-diethyl-ethanamine Openeye Name: 2-[4-[(2-butylbenzofuran-3-yl)-methoxy-methyl]-2,6-diiodo-phenoxy]-N,N-diethyl-ethanamine CAS Name: 2-[4-[(2-butyl-3-benzofuranyl)-methoxymethyl]-2,6-diiodophenoxy]-N,N-diethylethanamine IUPAC Name: 2-[4-[(2-butyl-1-benzofuran-3-yl)-methoxymethyl]-2,6-diiodophenoxy]-N,N-diethylethanamine Traditional Name: 2-[4-[(2-butylbenzofuran-3-yl)-methoxy-methyl]-2,6-diiodo-phenoxy]ethyl-diethyl-amine Formula: C26H33I2NO3 MolecularWeight: 661.35406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC(=C(C(=C3)I)OCCN(CC)CC)I)OC

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC(=C(C(=C3)I)OCCN(CC)CC)I)OC

InChI

InChI=1S/C26H33I2NO3/c1-5-8-12-23-24(19-11-9-10-13-22(19)32-23)25(30-4)18-16-20(27)26(21(28)17-18)31-15-14-29(6-2)7-3/h9-11,13,16-17,25H,5-8,12,14-15H2,1-4H3