[3,5-bis(iodanyl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-(2-butyl-1-benzofuran-3-yl)methanone

Systemtic Name: [3,5-bis(iodanyl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-(2-butyl-1-benzofuran-3-yl)methanone Openeye Name: (2-butylbenzofuran-3-yl)-[3,5-diiodo-4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone CAS Name: (2-butyl-3-benzofuranyl)-[3,5-diiodo-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methanone IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[3,5-diiodo-4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone Traditional Name: (2-butylbenzofuran-3-yl)-[3,5-diiodo-4-(2-pyrrolidinoethoxy)phenyl]methanone Formula: C25H27I2NO3 MolecularWeight: 643.29572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN4CCCC4)I

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN4CCCC4)I

InChI

InChI=1S/C25H27I2NO3/c1-2-3-9-22-23(18-8-4-5-10-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28-11-6-7-12-28/h4-5,8,10,15-16H,2-3,6-7,9,11-14H2,1H3