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

Systemtic Name: ethyl 4,6-bis(bromanyl)-5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 4,6-dibromo-5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 4,6-dibromo-5-methoxy-2-[(4-methyl-1-piperazinyl)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dibromo-5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 4,6-dibromo-5-methoxy-2-[(4-methylpiperazino)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C18H22Br2N2O4 MolecularWeight: 490.18628

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H22Br2N2O4/c1-4-25-18(23)15-13(10-22-7-5-21(2)6-8-22)26-12-9-11(19)17(24-3)16(20)14(12)15/h9H,4-8,10H2,1-3H3