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

Systemtic Name: 3-phenyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]propanoic acid dihydrochloride Openeye Name: 3-phenyl-2-[4-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]phenoxy]propanoic acid dihydrochloride CAS Name: 3-phenyl-2-[4-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]phenoxy]propanoic acid dihydrochloride IUPAC Name: 3-phenyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]propanoic acid dihydrochloride Traditional Name: 3-phenyl-2-[4-[4-[2-(4-piperidyl)ethyl]piperazino]phenoxy]propionic acid dihydrochloride Formula: C26H37Cl2N3O3 MolecularWeight: 510.49628

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCN2CCN(CC2)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O.Cl.Cl

Isomeric SMILES

C1CNCCC1CCN2CCN(CC2)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O.Cl.Cl

InChI

InChI=1S/C26H35N3O3.2ClH/c30-26(31)25(20-22-4-2-1-3-5-22)32-24-8-6-23(7-9-24)29-18-16-28(17-19-29)15-12-21-10-13-27-14-11-21;;/h1-9,21,25,27H,10-20H2,(H,30,31);2*1H