(4-bromanyl-2-propanoyl-phenyl) 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: (4-bromanyl-2-propanoyl-phenyl) 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: (4-bromo-2-propanoyl-phenyl) 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid [4-bromo-2-(1-oxopropyl)phenyl] ester IUPAC Name: (4-bromo-2-propanoylphenyl) 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid (4-bromo-2-propionyl-phenyl) ester Formula: C21H19BrO4 MolecularWeight: 415.27716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)Br)OC(=O)CC2=COC3=CC(=C(C=C32)C)C

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)Br)OC(=O)CC2=COC3=CC(=C(C=C32)C)C

InChI

InChI=1S/C21H19BrO4/c1-4-18(23)17-10-15(22)5-6-19(17)26-21(24)9-14-11-25-20-8-13(3)12(2)7-16(14)20/h5-8,10-11H,4,9H2,1-3H3