(4-propanoylphenyl) 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (4-propanoylphenyl) 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-propanoylphenyl) 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (4-propionylphenyl) ester Formula: C19H15BrO4 MolecularWeight: 387.224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

InChI

InChI=1S/C19H15BrO4/c1-3-16(21)12-4-7-14(8-5-12)23-19(22)18-11(2)15-10-13(20)6-9-17(15)24-18/h4-10H,3H2,1-2H3