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

Systemtic Name: propan-2-yl 3-[4-(3-bromanylpropyl)phenyl]carbonyl-2-butyl-1-benzofuran-7-carboxylate Openeye Name: isopropyl 3-[4-(3-bromopropyl)benzoyl]-2-butyl-benzofuran-7-carboxylate CAS Name: 3-[[4-(3-bromopropyl)phenyl]-oxomethyl]-2-butyl-7-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-(3-bromopropyl)benzoyl]-2-butyl-1-benzofuran-7-carboxylate Traditional Name: 3-[4-(3-bromopropyl)benzoyl]-2-butyl-benzofuran-7-carboxylic acid isopropyl ester Formula: C26H29BrO4 MolecularWeight: 485.41006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29BrO4/c1-4-5-11-22-23(24(28)19-14-12-18(13-15-19)8-7-16-27)20-9-6-10-21(25(20)31-22)26(29)30-17(2)3/h6,9-10,12-15,17H,4-5,7-8,11,16H2,1-3H3