ethyl 4-[3-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]benzoate dihydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.Cl.Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.Cl.Cl

InChI

InChI=1S/C21H26N4O3.2ClH/c1-2-28-21(27)17-6-8-18(9-7-17)23-20(26)10-12-24-13-15-25(16-14-24)19-5-3-4-11-22-19;;/h3-9,11H,2,10,12-16H2,1H3,(H,23,26);2*1H