propan-2-yl 3-[4-(3-bromanylpropyl)phenyl]carbonyl-2-(4-oxidanylbutyl)-1-benzofuran-5-carboxylate

Systemtic Name: propan-2-yl 3-[4-(3-bromanylpropyl)phenyl]carbonyl-2-(4-oxidanylbutyl)-1-benzofuran-5-carboxylate Openeye Name: isopropyl 3-[4-(3-bromopropyl)benzoyl]-2-(4-hydroxybutyl)benzofuran-5-carboxylate CAS Name: 3-[[4-(3-bromopropyl)phenyl]-oxomethyl]-2-(4-hydroxybutyl)-5-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-(3-bromopropyl)benzoyl]-2-(4-hydroxybutyl)-1-benzofuran-5-carboxylate Traditional Name: 3-[4-(3-bromopropyl)benzoyl]-2-(4-hydroxybutyl)benzofuran-5-carboxylic acid isopropyl ester Formula: C26H29BrO5 MolecularWeight: 501.40946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)OC(=C2C(=O)C3=CC=C(C=C3)CCCBr)CCCCO

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)OC(=C2C(=O)C3=CC=C(C=C3)CCCBr)CCCCO

InChI

InChI=1S/C26H29BrO5/c1-17(2)31-26(30)20-12-13-22-21(16-20)24(23(32-22)7-3-4-15-28)25(29)19-10-8-18(9-11-19)6-5-14-27/h8-13,16-17,28H,3-7,14-15H2,1-2H3