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

Systemtic Name: ethyl 2-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxylate hydrochloride Openeye Name: ethyl 5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]benzofuran-3-carboxylate hydrochloride CAS Name: 5-hydroxy-2-[(4-methyl-1-piperazinyl)methyl]-3-benzofurancarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate hydrochloride Traditional Name: 5-hydroxy-2-[(4-methylpiperazino)methyl]benzofuran-3-carboxylic acid ethyl ester hydrochloride Formula: C17H23ClN2O4 MolecularWeight: 354.82852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4.ClH/c1-3-22-17(21)16-13-10-12(20)4-5-14(13)23-15(16)11-19-8-6-18(2)7-9-19;/h4-5,10,20H,3,6-9,11H2,1-2H3;1H