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

Systemtic Name: methyl 3-[4-(bromomethyl)phenyl]carbonyl-2-butyl-1-benzofuran-5-carboxylate Openeye Name: methyl 3-[4-(bromomethyl)benzoyl]-2-butyl-benzofuran-5-carboxylate CAS Name: 3-[[4-(bromomethyl)phenyl]-oxomethyl]-2-butyl-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(bromomethyl)benzoyl]-2-butyl-1-benzofuran-5-carboxylate Traditional Name: 3-[4-(bromomethyl)benzoyl]-2-butyl-benzofuran-5-carboxylic acid methyl ester Formula: C22H21BrO4 MolecularWeight: 429.30374

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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)CBr

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrO4/c1-3-4-5-19-20(21(24)15-8-6-14(13-23)7-9-15)17-12-16(22(25)26-2)10-11-18(17)27-19/h6-12H,3-5,13H2,1-2H3