ethyl 4-[[4,6-bis(bromanyl)-3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4,6-bis(bromanyl)-3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4,6-dibromo-3-ethoxycarbonyl-5-methoxy-benzofuran-2-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(4,6-dibromo-3-ethoxycarbonyl-5-methoxy-2-benzofuranyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4,6-dibromo-3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(4,6-dibromo-3-carbethoxy-5-methoxy-benzofuran-2-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H24Br2N2O6 MolecularWeight: 548.22236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)OC)Br)CN3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)OC)Br)CN3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H24Br2N2O6/c1-4-28-19(25)16-14(11-23-6-8-24(9-7-23)20(26)29-5-2)30-13-10-12(21)18(27-3)17(22)15(13)16/h10H,4-9,11H2,1-3H3