2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]propanoic acid dihydrochloride

Systemtic Name: 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]propanoic acid dihydrochloride Openeye Name: 2-[4-[3-[4-(4-pyridyl)piperazin-1-yl]propanoylamino]phenyl]propanoic acid dihydrochloride CAS Name: 2-[4-[[1-oxo-3-(4-pyridin-4-yl-1-piperazinyl)propyl]amino]phenyl]propanoic acid dihydrochloride IUPAC Name: 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]propanoic acid dihydrochloride Traditional Name: 2-[4-[3-[4-(4-pyridyl)piperazino]propanoylamino]phenyl]propionic acid dihydrochloride Formula: C21H28Cl2N4O3 MolecularWeight: 455.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=NC=C3)C(=O)O.Cl.Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=NC=C3)C(=O)O.Cl.Cl

InChI

InChI=1S/C21H26N4O3.2ClH/c1-16(21(27)28)17-2-4-18(5-3-17)23-20(26)8-11-24-12-14-25(15-13-24)19-6-9-22-10-7-19;;/h2-7,9-10,16H,8,11-15H2,1H3,(H,23,26)(H,27,28);2*1H