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

Systemtic Name: ethyl 6-bromanyl-5-[(2-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-(o-tolylmethoxy)-2-phenyl-benzofuran-3-carboxylate CAS Name: 6-bromo-5-[(2-methylphenyl)methoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-[(2-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-(2-methylbenzyl)oxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H21BrO4 MolecularWeight: 465.33584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC=CC=C3C)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC=CC=C3C)Br)C4=CC=CC=C4

InChI

InChI=1S/C25H21BrO4/c1-3-28-25(27)23-19-13-22(29-15-18-12-8-7-9-16(18)2)20(26)14-21(19)30-24(23)17-10-5-4-6-11-17/h4-14H,3,15H2,1-2H3