ethyl 2-fluoranyl-3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate

Systemtic Name: ethyl 2-fluoranyl-3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Openeye Name: ethyl 2-fluoro-3-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoate CAS Name: 2-fluoro-3-[4-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-fluoro-3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Traditional Name: 2-fluoro-3-[4-(2-pyrimidylamino)piperidino]benzoic acid ethyl ester Formula: C18H21FN4O2 MolecularWeight: 344.383343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)N2CCC(CC2)NC3=NC=CC=N3)F

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)N2CCC(CC2)NC3=NC=CC=N3)F

InChI

InChI=1S/C18H21FN4O2/c1-2-25-17(24)14-5-3-6-15(16(14)19)23-11-7-13(8-12-23)22-18-20-9-4-10-21-18/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,20,21,22)