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

Systemtic Name: methyl 3-[4-(3-bromanylpropyl)phenyl]carbonyl-2-butyl-1-benzofuran-5-carboxylate Openeye Name: methyl 3-[4-(3-bromopropyl)benzoyl]-2-butyl-benzofuran-5-carboxylate CAS Name: 3-[[4-(3-bromopropyl)phenyl]-oxomethyl]-2-butyl-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(3-bromopropyl)benzoyl]-2-butyl-1-benzofuran-5-carboxylate Traditional Name: 3-[4-(3-bromopropyl)benzoyl]-2-butyl-benzofuran-5-carboxylic acid methyl ester Formula: C24H25BrO4 MolecularWeight: 457.3569

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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)CCCBr

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrO4/c1-3-4-7-21-22(19-15-18(24(27)28-2)12-13-20(19)29-21)23(26)17-10-8-16(9-11-17)6-5-14-25/h8-13,15H,3-7,14H2,1-2H3