ethyl 2-[3,5-bis(iodanyl)-4-methoxy-phenyl]-4,6-bis(dimethylaminomethyl)-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-[3,5-bis(iodanyl)-4-methoxy-phenyl]-4,6-bis(dimethylaminomethyl)-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-(3,5-diiodo-4-methoxy-phenyl)-4,6-bis(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylate CAS Name: 2-(3,5-diiodo-4-methoxyphenyl)-4,6-bis(dimethylaminomethyl)-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-diiodo-4-methoxyphenyl)-4,6-bis(dimethylaminomethyl)-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-(3,5-diiodo-4-methoxy-phenyl)-4,6-bis(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C24H28I2N2O5 MolecularWeight: 678.29846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)CN(C)C)C3=CC(=C(C(=C3)I)OC)I

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)CN(C)C)C3=CC(=C(C(=C3)I)OC)I

InChI

InChI=1S/C24H28I2N2O5/c1-7-32-24(30)20-19-15(12-28(4)5)21(29)14(11-27(2)3)10-18(19)33-22(20)13-8-16(25)23(31-6)17(26)9-13/h8-10,29H,7,11-12H2,1-6H3