ethyl 3-[4-(3-bromanylpropyl)phenyl]carbonyl-2-butyl-6-methyl-1-benzofuran-5-carboxylate

Systemtic Name: ethyl 3-[4-(3-bromanylpropyl)phenyl]carbonyl-2-butyl-6-methyl-1-benzofuran-5-carboxylate Openeye Name: ethyl 3-[4-(3-bromopropyl)benzoyl]-2-butyl-6-methyl-benzofuran-5-carboxylate CAS Name: 3-[[4-(3-bromopropyl)phenyl]-oxomethyl]-2-butyl-6-methyl-5-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-bromopropyl)benzoyl]-2-butyl-6-methyl-1-benzofuran-5-carboxylate Traditional Name: 3-[4-(3-bromopropyl)benzoyl]-2-butyl-6-methyl-benzofuran-5-carboxylic acid ethyl ester Formula: C26H29BrO4 MolecularWeight: 485.41006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29BrO4/c1-4-6-9-22-24(25(28)19-12-10-18(11-13-19)8-7-14-27)21-16-20(26(29)30-5-2)17(3)15-23(21)31-22/h10-13,15-16H,4-9,14H2,1-3H3