methyl 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate dihydrochloride

Systemtic Name: methyl 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate dihydrochloride Openeye Name: methyl 4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]benzoate dihydrochloride CAS Name: 4-[2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy]benzoic acid methyl ester dihydrochloride IUPAC Name: methyl 4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]benzoate dihydrochloride Traditional Name: 4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazino]propoxy]benzoic acid methyl ester dihydrochloride Formula: C22H30Cl2N2O5 MolecularWeight: 473.39

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O.Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O.Cl.Cl

InChI

InChI=1S/C22H28N2O5.2ClH/c1-27-21-6-4-3-5-20(21)24-13-11-23(12-14-24)15-18(25)16-29-19-9-7-17(8-10-19)22(26)28-2;;/h3-10,18,25H,11-16H2,1-2H3;2*1H