3-[4-(3-bromanylpropyl)phenyl]carbonyl-2-(4-oxidanylbutyl)-1-benzofuran-5-carboxylic acid

Systemtic Name: 3-[4-(3-bromanylpropyl)phenyl]carbonyl-2-(4-oxidanylbutyl)-1-benzofuran-5-carboxylic acid Openeye Name: 3-[4-(3-bromopropyl)benzoyl]-2-(4-hydroxybutyl)benzofuran-5-carboxylic acid CAS Name: 3-[[4-(3-bromopropyl)phenyl]-oxomethyl]-2-(4-hydroxybutyl)-5-benzofurancarboxylic acid IUPAC Name: 3-[4-(3-bromopropyl)benzoyl]-2-(4-hydroxybutyl)-1-benzofuran-5-carboxylic acid Traditional Name: 3-[4-(3-bromopropyl)benzoyl]-2-(4-hydroxybutyl)benzofuran-5-carboxylic acid Formula: C23H23BrO5 MolecularWeight: 459.32972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCBr)C(=O)C2=C(OC3=C2C=C(C=C3)C(=O)O)CCCCO

Isomeric SMILES

C1=CC(=CC=C1CCCBr)C(=O)C2=C(OC3=C2C=C(C=C3)C(=O)O)CCCCO

InChI

InChI=1S/C23H23BrO5/c24-12-3-4-15-6-8-16(9-7-15)22(26)21-18-14-17(23(27)28)10-11-19(18)29-20(21)5-1-2-13-25/h6-11,14,25H,1-5,12-13H2,(H,27,28)