methyl 4-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]benzoate dihydrochloride

Systemtic Name: methyl 4-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]benzoate dihydrochloride Openeye Name: methyl 4-[2-hydroxy-3-[4-(2-pyridyl)piperazin-1-yl]propoxy]benzoate dihydrochloride CAS Name: 4-[2-hydroxy-3-[4-(2-pyridinyl)-1-piperazinyl]propoxy]benzoic acid methyl ester dihydrochloride IUPAC Name: methyl 4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]benzoate dihydrochloride Traditional Name: 4-[2-hydroxy-3-[4-(2-pyridyl)piperazino]propoxy]benzoic acid methyl ester dihydrochloride Formula: C20H27Cl2N3O4 MolecularWeight: 444.35208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl.Cl

InChI

InChI=1S/C20H25N3O4.2ClH/c1-26-20(25)16-5-7-18(8-6-16)27-15-17(24)14-22-10-12-23(13-11-22)19-4-2-3-9-21-19;;/h2-9,17,24H,10-15H2,1H3;2*1H