ethyl 5-[4-[2-(2-hydroxyethylamino)-2-oxidanylidene-ethyl]-2-iodanyl-6-(2-phenylethynyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[4-[2-(2-hydroxyethylamino)-2-oxidanylidene-ethyl]-2-iodanyl-6-(2-phenylethynyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[4-[2-(2-hydroxyethylamino)-2-oxo-ethyl]-2-iodo-6-(2-phenylethynyl)phenoxy]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-iodo-6-(2-phenylethynyl)phenoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-iodo-6-(2-phenylethynyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[4-[2-(2-hydroxyethylamino)-2-keto-ethyl]-2-iodo-6-(2-phenylethynyl)phenoxy]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C35H28INO6 MolecularWeight: 685.50439

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=C(C=C(C=C3C#CC4=CC=CC=C4)CC(=O)NCCO)I)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=C(C=C(C=C3C#CC4=CC=CC=C4)CC(=O)NCCO)I)C5=CC=CC=C5

InChI

InChI=1S/C35H28INO6/c1-2-41-35(40)32-28-22-27(15-16-30(28)43-34(32)25-11-7-4-8-12-25)42-33-26(14-13-23-9-5-3-6-10-23)19-24(20-29(33)36)21-31(39)37-17-18-38/h3-12,15-16,19-20,22,38H,2,17-18,21H2,1H3,(H,37,39)