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

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

Isomeric SMILES

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

InChI

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