5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: 5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: 5-[(4-bromophenyl)methoxy]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)methoxy]-2-methyl-3-benzofurancarboxylate IUPAC Name: 5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-(4-bromobenzyl)oxy-2-methyl-benzofuran-3-carboxylate Formula: C17H12BrO4- MolecularWeight: 360.17878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C17H13BrO4/c1-10-16(17(19)20)14-8-13(6-7-15(14)22-10)21-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,19,20)/p-1