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

Systemtic Name: 3-[4-(3-bromanylpropyl)phenyl]carbonyl-2-butyl-1-benzofuran-5-carboxylic acid Openeye Name: 3-[4-(3-bromopropyl)benzoyl]-2-butyl-benzofuran-5-carboxylic acid CAS Name: 3-[[4-(3-bromopropyl)phenyl]-oxomethyl]-2-butyl-5-benzofurancarboxylic acid IUPAC Name: 3-[4-(3-bromopropyl)benzoyl]-2-butyl-1-benzofuran-5-carboxylic acid Traditional Name: 3-[4-(3-bromopropyl)benzoyl]-2-butyl-benzofuran-5-carboxylic acid Formula: C23H23BrO4 MolecularWeight: 443.33032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)O)C(=O)C3=CC=C(C=C3)CCCBr

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)O)C(=O)C3=CC=C(C=C3)CCCBr

InChI

InChI=1S/C23H23BrO4/c1-2-3-6-20-21(18-14-17(23(26)27)11-12-19(18)28-20)22(25)16-9-7-15(8-10-16)5-4-13-24/h7-12,14H,2-6,13H2,1H3,(H,26,27)