(2,6-dimethylphenyl) 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (2,6-dimethylphenyl) 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (2,6-dimethylphenyl) ester Formula: C18H15BrO3 MolecularWeight: 359.2139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

InChI

InChI=1S/C18H15BrO3/c1-10-5-4-6-11(2)16(10)22-18(20)17-12(3)14-9-13(19)7-8-15(14)21-17/h4-9H,1-3H3