ethyl 6-bromanyl-5-[(2,5-dimethylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-[(2,5-dimethylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-[(2,5-dimethylphenyl)methoxy]-2-phenyl-benzofuran-3-carboxylate CAS Name: 6-bromo-5-[(2,5-dimethylphenyl)methoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-[(2,5-dimethylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-(2,5-dimethylbenzyl)oxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C26H23BrO4 MolecularWeight: 479.36242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=C(C=CC(=C3)C)C)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=C(C=CC(=C3)C)C)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H23BrO4/c1-4-29-26(28)24-20-13-23(30-15-19-12-16(2)10-11-17(19)3)21(27)14-22(20)31-25(24)18-8-6-5-7-9-18/h5-14H,4,15H2,1-3H3