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

Systemtic Name: [4-(2-azanylethoxy)-3,5-bis(iodanyl)phenyl]-(2-butyl-1-benzofuran-3-yl)methanone Openeye Name: [4-(2-aminoethoxy)-3,5-diiodo-phenyl]-(2-butylbenzofuran-3-yl)methanone CAS Name: [4-(2-aminoethoxy)-3,5-diiodophenyl]-(2-butyl-3-benzofuranyl)methanone IUPAC Name: [4-(2-aminoethoxy)-3,5-diiodophenyl]-(2-butyl-1-benzofuran-3-yl)methanone Traditional Name: [4-(2-aminoethoxy)-3,5-diiodo-phenyl]-(2-butylbenzofuran-3-yl)methanone Formula: C21H21I2NO3 MolecularWeight: 589.20528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21I2NO3/c1-2-3-7-18-19(14-6-4-5-8-17(14)27-18)20(25)13-11-15(22)21(16(23)12-13)26-10-9-24/h4-6,8,11-12H,2-3,7,9-10,24H2,1H3