3-(2,4-dimethoxyphenyl)-6-(dimethylamino)-3-(1-heptan-2-yl-5-iodanyl-indol-3-yl)-2-benzofuran-1-one

Systemtic Name: 3-(2,4-dimethoxyphenyl)-6-(dimethylamino)-3-(1-heptan-2-yl-5-iodanyl-indol-3-yl)-2-benzofuran-1-one Openeye Name: 3-(2,4-dimethoxyphenyl)-6-(dimethylamino)-3-[5-iodo-1-(1-methylhexyl)indol-3-yl]isobenzofuran-1-one CAS Name: 3-(2,4-dimethoxyphenyl)-6-(dimethylamino)-3-(1-heptan-2-yl-5-iodo-3-indolyl)-1-isobenzofuranone IUPAC Name: 3-(2,4-dimethoxyphenyl)-6-(dimethylamino)-3-(1-heptan-2-yl-5-iodoindol-3-yl)-2-benzofuran-1-one Traditional Name: 3-(2,4-dimethoxyphenyl)-6-(dimethylamino)-3-[5-iodo-1-(1-methylhexyl)indol-3-yl]phthalide Formula: C33H37IN2O4 MolecularWeight: 652.56235

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)N1C=C(C2=C1C=CC(=C2)I)C3(C4=C(C=C(C=C4)N(C)C)C(=O)O3)C5=C(C=C(C=C5)OC)OC

Isomeric SMILES

CCCCCC(C)N1C=C(C2=C1C=CC(=C2)I)C3(C4=C(C=C(C=C4)N(C)C)C(=O)O3)C5=C(C=C(C=C5)OC)OC

InChI

InChI=1S/C33H37IN2O4/c1-7-8-9-10-21(2)36-20-29(25-17-22(34)11-16-30(25)36)33(28-15-13-24(38-5)19-31(28)39-6)27-14-12-23(35(3)4)18-26(27)32(37)40-33/h11-21H,7-10H2,1-6H3