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

Systemtic Name: ethyl 4,6-bis(bromanyl)-5-methoxy-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-4,6-dibromo-5-methoxy-benzofuran-3-carboxylate CAS Name: 4,6-dibromo-5-methoxy-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-4,6-dibromo-5-methoxy-1-benzofuran-3-carboxylate Traditional Name: 2-[(4-benzylpiperazino)methyl]-4,6-dibromo-5-methoxy-benzofuran-3-carboxylic acid ethyl ester Formula: C24H26Br2N2O4 MolecularWeight: 566.28224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)OC)Br)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)Br)OC)Br)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26Br2N2O4/c1-3-31-24(29)21-19(32-18-13-17(25)23(30-2)22(26)20(18)21)15-28-11-9-27(10-12-28)14-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14-15H2,1-2H3