methyl 3-[4-(3-bromanylpropyl)phenyl]carbonyl-2-butyl-1-benzofuran-7-carboxylate

Systemtic Name: methyl 3-[4-(3-bromanylpropyl)phenyl]carbonyl-2-butyl-1-benzofuran-7-carboxylate Openeye Name: methyl 3-[4-(3-bromopropyl)benzoyl]-2-butyl-benzofuran-7-carboxylate CAS Name: 3-[[4-(3-bromopropyl)phenyl]-oxomethyl]-2-butyl-7-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(3-bromopropyl)benzoyl]-2-butyl-1-benzofuran-7-carboxylate Traditional Name: 3-[4-(3-bromopropyl)benzoyl]-2-butyl-benzofuran-7-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/c1-3-4-10-20-21(18-8-5-9-19(23(18)29-20)24(27)28-2)22(26)17-13-11-16(12-14-17)7-6-15-25/h5,8-9,11-14H,3-4,6-7,10,15H2,1-2H3