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

Systemtic Name: 2-[3-[4-(2-diethylaminoethyloxy)-3,5-bis(iodanyl)phenyl]carbonyl-1-benzofuran-2-yl]ethanoate Openeye Name: 2-[3-[4-(2-diethylaminoethyloxy)-3,5-diiodo-benzoyl]benzofuran-2-yl]acetate CAS Name: 2-[3-[[4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]-oxomethyl]-2-benzofuranyl]acetate IUPAC Name: 2-[3-[4-(2-diethylaminoethyloxy)-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate Traditional Name: 2-[3-[4-(2-diethylaminoethyloxy)-3,5-diiodo-benzoyl]benzofuran-2-yl]acetate Formula: C23H22I2NO5- MolecularWeight: 646.23342

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C(C=C1I)C(=O)C2=C(OC3=CC=CC=C32)CC(=O)[O-])I

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C=C1I)C(=O)C2=C(OC3=CC=CC=C32)CC(=O)[O-])I

InChI

InChI=1S/C23H23I2NO5/c1-3-26(4-2)9-10-30-23-16(24)11-14(12-17(23)25)22(29)21-15-7-5-6-8-18(15)31-19(21)13-20(27)28/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)/p-1