ethyl 2-[3,5-bis(bromanyl)-4-methoxy-phenyl]-4-(dimethylaminomethyl)-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-[3,5-bis(bromanyl)-4-methoxy-phenyl]-4-(dimethylaminomethyl)-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-(3,5-dibromo-4-methoxy-phenyl)-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylate CAS Name: 2-(3,5-dibromo-4-methoxyphenyl)-4-(dimethylaminomethyl)-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dibromo-4-methoxyphenyl)-4-(dimethylaminomethyl)-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-(3,5-dibromo-4-methoxy-phenyl)-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C21H21Br2NO5 MolecularWeight: 527.20314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)C3=CC(=C(C(=C3)Br)OC)Br

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)C3=CC(=C(C(=C3)Br)OC)Br

InChI

InChI=1S/C21H21Br2NO5/c1-5-28-21(26)18-17-12(10-24(2)3)15(25)6-7-16(17)29-19(18)11-8-13(22)20(27-4)14(23)9-11/h6-9,25H,5,10H2,1-4H3