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

Systemtic Name: methyl 3-[4-(3-bromanylpropyl)phenyl]carbonyl-2-butyl-1-benzofuran-4-carboxylate Openeye Name: methyl 3-[4-(3-bromopropyl)benzoyl]-2-butyl-benzofuran-4-carboxylate CAS Name: 3-[[4-(3-bromopropyl)phenyl]-oxomethyl]-2-butyl-4-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(3-bromopropyl)benzoyl]-2-butyl-1-benzofuran-4-carboxylate Traditional Name: 3-[4-(3-bromopropyl)benzoyl]-2-butyl-benzofuran-4-carboxylic acid methyl ester Formula: C24H25BrO4 MolecularWeight: 457.3569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC=C2O1)C(=O)OC)C(=O)C3=CC=C(C=C3)CCCBr

Isomeric SMILES

CCCCC1=C(C2=C(C=CC=C2O1)C(=O)OC)C(=O)C3=CC=C(C=C3)CCCBr

InChI

InChI=1S/C24H25BrO4/c1-3-4-9-20-22(21-18(24(27)28-2)8-5-10-19(21)29-20)23(26)17-13-11-16(12-14-17)7-6-15-25/h5,8,10-14H,3-4,6-7,9,15H2,1-2H3