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

Systemtic Name: 2-[4-[(2-butyl-1-benzofuran-3-yl)methyl]-2,6-bis(iodanyl)phenoxy]-N,N-diethyl-ethanamine Openeye Name: 2-[4-[(2-butylbenzofuran-3-yl)methyl]-2,6-diiodo-phenoxy]-N,N-diethyl-ethanamine CAS Name: 2-[4-[(2-butyl-3-benzofuranyl)methyl]-2,6-diiodophenoxy]-N,N-diethylethanamine IUPAC Name: 2-[4-[(2-butyl-1-benzofuran-3-yl)methyl]-2,6-diiodophenoxy]-N,N-diethylethanamine Traditional Name: 2-[4-[(2-butylbenzofuran-3-yl)methyl]-2,6-diiodo-phenoxy]ethyl-diethyl-amine Formula: C25H31I2NO2 MolecularWeight: 631.32808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C(=C3)I)OCCN(CC)CC)I

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C(=C3)I)OCCN(CC)CC)I

InChI

InChI=1S/C25H31I2NO2/c1-4-7-11-24-20(19-10-8-9-12-23(19)30-24)15-18-16-21(26)25(22(27)17-18)29-14-13-28(5-2)6-3/h8-10,12,16-17H,4-7,11,13-15H2,1-3H3