methyl 3-[4-(4-bromanylbutyl)phenyl]carbonyl-2-butyl-1-benzofuran-5-carboxylate

Systemtic Name: methyl 3-[4-(4-bromanylbutyl)phenyl]carbonyl-2-butyl-1-benzofuran-5-carboxylate Openeye Name: methyl 3-[4-(4-bromobutyl)benzoyl]-2-butyl-benzofuran-5-carboxylate CAS Name: 3-[[4-(4-bromobutyl)phenyl]-oxomethyl]-2-butyl-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-bromobutyl)benzoyl]-2-butyl-1-benzofuran-5-carboxylate Traditional Name: 3-[4-(4-bromobutyl)benzoyl]-2-butyl-benzofuran-5-carboxylic acid methyl ester Formula: C25H27BrO4 MolecularWeight: 471.38348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)CCCCBr

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)CCCCBr

InChI

InChI=1S/C25H27BrO4/c1-3-4-8-22-23(20-16-19(25(28)29-2)13-14-21(20)30-22)24(27)18-11-9-17(10-12-18)7-5-6-15-26/h9-14,16H,3-8,15H2,1-2H3