(2-bromanyl-4-methyl-phenyl) 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (2-bromo-4-methyl-phenyl) 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (2-bromo-4-methyl-phenyl) ester Formula: C17H13BrO3 MolecularWeight: 345.18732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3O2)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3O2)C)Br

InChI

InChI=1S/C17H13BrO3/c1-10-7-8-15(13(18)9-10)21-17(19)16-11(2)12-5-3-4-6-14(12)20-16/h3-9H,1-2H3