[4-(2-diethylaminoethyloxy)-3,5-bis(iodanyl)phenyl]-(2-pentyl-1-benzofuran-3-yl)methanone

Systemtic Name: [4-(2-diethylaminoethyloxy)-3,5-bis(iodanyl)phenyl]-(2-pentyl-1-benzofuran-3-yl)methanone Openeye Name: [4-(2-diethylaminoethyloxy)-3,5-diiodo-phenyl]-(2-pentylbenzofuran-3-yl)methanone CAS Name: [4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]-(2-pentyl-3-benzofuranyl)methanone IUPAC Name: [4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]-(2-pentyl-1-benzofuran-3-yl)methanone Traditional Name: (2-amylbenzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodo-phenyl]methanone Formula: C26H31I2NO3 MolecularWeight: 659.33818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I

Isomeric SMILES

CCCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I

InChI

InChI=1S/C26H31I2NO3/c1-4-7-8-13-23-24(19-11-9-10-12-22(19)32-23)25(30)18-16-20(27)26(21(28)17-18)31-15-14-29(5-2)6-3/h9-12,16-17H,4-8,13-15H2,1-3H3