propan-2-yl 3-[4-(4-bromanylbutyl)phenyl]carbonyl-2-butyl-1-benzofuran-5-carboxylate

Systemtic Name: propan-2-yl 3-[4-(4-bromanylbutyl)phenyl]carbonyl-2-butyl-1-benzofuran-5-carboxylate Openeye Name: isopropyl 3-[4-(4-bromobutyl)benzoyl]-2-butyl-benzofuran-5-carboxylate CAS Name: 3-[[4-(4-bromobutyl)phenyl]-oxomethyl]-2-butyl-5-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-(4-bromobutyl)benzoyl]-2-butyl-1-benzofuran-5-carboxylate Traditional Name: 3-[4-(4-bromobutyl)benzoyl]-2-butyl-benzofuran-5-carboxylic acid isopropyl ester Formula: C27H31BrO4 MolecularWeight: 499.43664

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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)CCCCBr

Isomeric SMILES

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

InChI

InChI=1S/C27H31BrO4/c1-4-5-9-24-25(26(29)20-12-10-19(11-13-20)8-6-7-16-28)22-17-21(14-15-23(22)32-24)27(30)31-18(2)3/h10-15,17-18H,4-9,16H2,1-3H3