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

Systemtic Name: ethyl 4,6-bis(bromanyl)-2-[[(4-ethoxyphenyl)amino]methyl]-5-methoxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 4,6-dibromo-2-[(4-ethoxyanilino)methyl]-5-methoxy-benzofuran-3-carboxylate CAS Name: 4,6-dibromo-2-[(4-ethoxyanilino)methyl]-5-methoxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dibromo-2-[(4-ethoxyanilino)methyl]-5-methoxy-1-benzofuran-3-carboxylate Traditional Name: 4,6-dibromo-5-methoxy-2-(p-phenetidinomethyl)benzofuran-3-carboxylic acid ethyl ester Formula: C21H21Br2NO5 MolecularWeight: 527.20314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NCC2=C(C3=C(C(=C(C=C3O2)Br)OC)Br)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NCC2=C(C3=C(C(=C(C=C3O2)Br)OC)Br)C(=O)OCC

InChI

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