methyl 4-oxidanyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]butanoate dihydrochloride

Systemtic Name: methyl 4-oxidanyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]butanoate dihydrochloride Openeye Name: methyl 4-hydroxy-2-[4-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]phenoxy]butanoate dihydrochloride CAS Name: 4-hydroxy-2-[4-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]phenoxy]butanoic acid methyl ester dihydrochloride IUPAC Name: methyl 4-hydroxy-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]butanoate dihydrochloride Traditional Name: 4-hydroxy-2-[4-[4-[2-(4-piperidyl)ethyl]piperazino]phenoxy]butyric acid methyl ester dihydrochloride Formula: C22H37Cl2N3O4 MolecularWeight: 478.45288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCO)OC1=CC=C(C=C1)N2CCN(CC2)CCC3CCNCC3.Cl.Cl

Isomeric SMILES

COC(=O)C(CCO)OC1=CC=C(C=C1)N2CCN(CC2)CCC3CCNCC3.Cl.Cl

InChI

InChI=1S/C22H35N3O4.2ClH/c1-28-22(27)21(9-17-26)29-20-4-2-19(3-5-20)25-15-13-24(14-16-25)12-8-18-6-10-23-11-7-18;;/h2-5,18,21,23,26H,6-17H2,1H3;2*1H