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

Systemtic Name: (3-butyl-1-benzofuran-2-yl)-[5-[3-(dimethylamino)propoxy]-2,3-bis(iodanyl)phenyl]methanone Openeye Name: (3-butylbenzofuran-2-yl)-[5-[3-(dimethylamino)propoxy]-2,3-diiodo-phenyl]methanone CAS Name: (3-butyl-2-benzofuranyl)-[5-[3-(dimethylamino)propoxy]-2,3-diiodophenyl]methanone IUPAC Name: (3-butyl-1-benzofuran-2-yl)-[5-[3-(dimethylamino)propoxy]-2,3-diiodophenyl]methanone Traditional Name: (3-butylbenzofuran-2-yl)-[5-[3-(dimethylamino)propoxy]-2,3-diiodo-phenyl]methanone Formula: C24H27I2NO3 MolecularWeight: 631.28502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(OC2=CC=CC=C21)C(=O)C3=CC(=CC(=C3I)I)OCCCN(C)C

Isomeric SMILES

CCCCC1=C(OC2=CC=CC=C21)C(=O)C3=CC(=CC(=C3I)I)OCCCN(C)C

InChI

InChI=1S/C24H27I2NO3/c1-4-5-9-18-17-10-6-7-11-21(17)30-24(18)23(28)19-14-16(15-20(25)22(19)26)29-13-8-12-27(2)3/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3