propan-2-yl 3-[4-(3-bromanylpropyl)phenyl]carbonyl-2-butyl-1-benzofuran-6-carboxylate

Systemtic Name: propan-2-yl 3-[4-(3-bromanylpropyl)phenyl]carbonyl-2-butyl-1-benzofuran-6-carboxylate Openeye Name: isopropyl 3-[4-(3-bromopropyl)benzoyl]-2-butyl-benzofuran-6-carboxylate CAS Name: 3-[[4-(3-bromopropyl)phenyl]-oxomethyl]-2-butyl-6-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-(3-bromopropyl)benzoyl]-2-butyl-1-benzofuran-6-carboxylate Traditional Name: 3-[4-(3-bromopropyl)benzoyl]-2-butyl-benzofuran-6-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=C(C=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CCCBr

Isomeric SMILES

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

InChI

InChI=1S/C26H29BrO4/c1-4-5-8-22-24(25(28)19-11-9-18(10-12-19)7-6-15-27)21-14-13-20(16-23(21)31-22)26(29)30-17(2)3/h9-14,16-17H,4-8,15H2,1-3H3