ethyl 4,6-bis(bromanyl)-5-methoxy-2-[[(3-methylphenyl)amino]methyl]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4,6-bis(bromanyl)-5-methoxy-2-[[(3-methylphenyl)amino]methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 4,6-dibromo-5-methoxy-2-[(3-methylanilino)methyl]benzofuran-3-carboxylate CAS Name: 4,6-dibromo-5-methoxy-2-[(3-methylanilino)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dibromo-5-methoxy-2-[(3-methylanilino)methyl]-1-benzofuran-3-carboxylate Traditional Name: 4,6-dibromo-5-methoxy-2-(m-toluidinomethyl)benzofuran-3-carboxylic acid ethyl ester Formula: C20H19Br2NO4 MolecularWeight: 497.17716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)OC)Br)CNC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)OC)Br)CNC3=CC=CC(=C3)C

InChI

InChI=1S/C20H19Br2NO4/c1-4-26-20(24)17-15(10-23-12-7-5-6-11(2)8-12)27-14-9-13(21)19(25-3)18(22)16(14)17/h5-9,23H,4,10H2,1-3H3