2-methoxyethyl 6-bromanyl-2-methyl-5-(3-phenylprop-2-enoxy)-1-benzofuran-3-carboxylate

Systemtic Name: 2-methoxyethyl 6-bromanyl-2-methyl-5-(3-phenylprop-2-enoxy)-1-benzofuran-3-carboxylate Openeye Name: 2-methoxyethyl 6-bromo-5-cinnamyloxy-2-methyl-benzofuran-3-carboxylate CAS Name: 6-bromo-2-methyl-5-(3-phenylprop-2-enoxy)-3-benzofurancarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-bromo-2-methyl-5-(3-phenylprop-2-enoxy)-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-cinnamyloxy-2-methyl-benzofuran-3-carboxylic acid 2-methoxyethyl ester Formula: C22H21BrO5 MolecularWeight: 445.30314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)Br)OCC=CC3=CC=CC=C3)C(=O)OCCOC

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)Br)OCC=CC3=CC=CC=C3)C(=O)OCCOC

InChI

InChI=1S/C22H21BrO5/c1-15-21(22(24)27-12-11-25-2)17-13-20(18(23)14-19(17)28-15)26-10-6-9-16-7-4-3-5-8-16/h3-9,13-14H,10-12H2,1-2H3