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

Systemtic Name: [3,5-bis(iodanyl)-4-(2-piperidin-1-ylethoxy)phenyl]-(2-butyl-1-benzofuran-3-yl)methanone Openeye Name: (2-butylbenzofuran-3-yl)-[3,5-diiodo-4-[2-(1-piperidyl)ethoxy]phenyl]methanone CAS Name: (2-butyl-3-benzofuranyl)-[3,5-diiodo-4-[2-(1-piperidinyl)ethoxy]phenyl]methanone IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[3,5-diiodo-4-(2-piperidin-1-ylethoxy)phenyl]methanone Traditional Name: (2-butylbenzofuran-3-yl)-[3,5-diiodo-4-(2-piperidinoethoxy)phenyl]methanone Formula: C26H29I2NO3 MolecularWeight: 657.3223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN4CCCCC4)I

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN4CCCCC4)I

InChI

InChI=1S/C26H29I2NO3/c1-2-3-10-23-24(19-9-5-6-11-22(19)32-23)25(30)18-16-20(27)26(21(28)17-18)31-15-14-29-12-7-4-8-13-29/h5-6,9,11,16-17H,2-4,7-8,10,12-15H2,1H3