methyl 3-phenyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]propanoate dihydrochloride

Systemtic Name: methyl 3-phenyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]propanoate dihydrochloride Openeye Name: methyl 3-phenyl-2-[4-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]phenoxy]propanoate dihydrochloride CAS Name: 3-phenyl-2-[4-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]phenoxy]propanoic acid methyl ester dihydrochloride IUPAC Name: methyl 3-phenyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]propanoate dihydrochloride Traditional Name: 3-phenyl-2-[4-[4-[2-(4-piperidyl)ethyl]piperazino]phenoxy]propionic acid methyl ester dihydrochloride Formula: C27H39Cl2N3O3 MolecularWeight: 524.52286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)OC2=CC=C(C=C2)N3CCN(CC3)CCC4CCNCC4.Cl.Cl

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)OC2=CC=C(C=C2)N3CCN(CC3)CCC4CCNCC4.Cl.Cl

InChI

InChI=1S/C27H37N3O3.2ClH/c1-32-27(31)26(21-23-5-3-2-4-6-23)33-25-9-7-24(8-10-25)30-19-17-29(18-20-30)16-13-22-11-14-28-15-12-22;;/h2-10,22,26,28H,11-21H2,1H3;2*1H