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

Systemtic Name: (2-butyl-1-benzofuran-3-yl)-[4-(2-dimethylaminoethyloxy)-3,5-bis(iodanyl)phenyl]methanone Openeye Name: (2-butylbenzofuran-3-yl)-[4-(2-dimethylaminoethyloxy)-3,5-diiodo-phenyl]methanone CAS Name: (2-butyl-3-benzofuranyl)-[4-(2-dimethylaminoethyloxy)-3,5-diiodophenyl]methanone IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-(2-dimethylaminoethyloxy)-3,5-diiodophenyl]methanone Traditional Name: (2-butylbenzofuran-3-yl)-[4-(2-dimethylaminoethyloxy)-3,5-diiodo-phenyl]methanone Formula: C23H25I2NO3 MolecularWeight: 617.25844

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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(C)C)I

Isomeric SMILES

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

InChI

InChI=1S/C23H25I2NO3/c1-4-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26(2)3/h6-8,10,13-14H,4-5,9,11-12H2,1-3H3