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

Systemtic Name: ethyl 6-bromanyl-5-[(2,5-dimethylphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-[(2,5-dimethylphenyl)methoxy]-2-methyl-benzofuran-3-carboxylate CAS Name: 6-bromo-5-[(2,5-dimethylphenyl)methoxy]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-[(2,5-dimethylphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-(2,5-dimethylbenzyl)oxy-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C21H21BrO4 MolecularWeight: 417.29304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrO4/c1-5-24-21(23)20-14(4)26-18-10-17(22)19(9-16(18)20)25-11-15-8-12(2)6-7-13(15)3/h6-10H,5,11H2,1-4H3