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

Systemtic Name: ethyl 4,6-bis(bromanyl)-5-methoxy-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 4,6-dibromo-5-methoxy-2-[(4-phenylpiperazin-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 4,6-dibromo-5-methoxy-2-[(4-phenyl-1-piperazinyl)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dibromo-5-methoxy-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 4,6-dibromo-5-methoxy-2-[(4-phenylpiperazino)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C23H24Br2N2O4 MolecularWeight: 552.25566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24Br2N2O4/c1-3-30-23(28)20-18(31-17-13-16(24)22(29-2)21(25)19(17)20)14-26-9-11-27(12-10-26)15-7-5-4-6-8-15/h4-8,13H,3,9-12,14H2,1-2H3