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

Systemtic Name: ethyl 4-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate dihydrochloride Openeye Name: ethyl 5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-benzofuran-3-carboxylate dihydrochloride CAS Name: 5-hydroxy-4-[(4-methyl-1-piperazinyl)methyl]-2-phenyl-3-benzofurancarboxylic acid ethyl ester dihydrochloride IUPAC Name: ethyl 5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate dihydrochloride Traditional Name: 5-hydroxy-4-[(4-methylpiperazino)methyl]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester dihydrochloride Formula: C23H28Cl2N2O4 MolecularWeight: 467.38542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCN(CC3)C)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCN(CC3)C)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C23H26N2O4.2ClH/c1-3-28-23(27)21-20-17(15-25-13-11-24(2)12-14-25)18(26)9-10-19(20)29-22(21)16-7-5-4-6-8-16;;/h4-10,26H,3,11-15H2,1-2H3;2*1H