ethylamino 3-[[3-fluoranyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate

Systemtic Name: ethylamino 3-[[3-fluoranyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate Openeye Name: ethylamino 3-[[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate CAS Name: 3-[[[3-fluoro-4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]-oxomethyl]amino]propanoic acid ethylamino ester IUPAC Name: ethylamino 3-[[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[[3-fluoro-4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid ethylamino ester Formula: C20H25FN6O3 MolecularWeight: 416.449303

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Descriptors Computed from Structure

Canonical SMILES:

CCNOC(=O)CCNC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F

Isomeric SMILES

CCNOC(=O)CCNC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)F

InChI

InChI=1S/C20H25FN6O3/c1-2-25-30-18(28)6-9-22-19(29)15-4-5-17(16(21)14-15)26-10-12-27(13-11-26)20-23-7-3-8-24-20/h3-5,7-8,14,25H,2,6,9-13H2,1H3,(H,22,29)