(2-butyl-1-benzofuran-3-yl)-[4-ethoxy-3,5-bis(iodanyl)phenyl]methanone; N-ethylethanamine

Systemtic Name: (2-butyl-1-benzofuran-3-yl)-[4-ethoxy-3,5-bis(iodanyl)phenyl]methanone; N-ethylethanamine Openeye Name: (2-butylbenzofuran-3-yl)-(4-ethoxy-3,5-diiodo-phenyl)methanone; N-ethylethanamine CAS Name: (2-butyl-3-benzofuranyl)-(4-ethoxy-3,5-diiodophenyl)methanone; N-ethylethanamine IUPAC Name: (2-butyl-1-benzofuran-3-yl)-(4-ethoxy-3,5-diiodophenyl)methanone; N-ethylethanamine Traditional Name: (2-butylbenzofuran-3-yl)-(4-ethoxy-3,5-diiodo-phenyl)methanone; diethylamine Formula: C25H31I2NO3 MolecularWeight: 647.32748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC)I.CCNCC

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC)I.CCNCC

InChI

InChI=1S/C21H20I2O3.C4H11N/c1-3-5-9-18-19(14-8-6-7-10-17(14)26-18)20(24)13-11-15(22)21(25-4-2)16(23)12-13;1-3-5-4-2/h6-8,10-12H,3-5,9H2,1-2H3;5H,3-4H2,1-2H3