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

Systemtic Name: ethyl 6-bromanyl-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-methyl-4-[(4-methyl-1-piperazinyl)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-methyl-4-[(4-methylpiperazino)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O4/c1-4-24-18(23)15-11(2)25-14-9-13(19)17(22)12(16(14)15)10-21-7-5-20(3)6-8-21/h9,22H,4-8,10H2,1-3H3