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

Systemtic Name: methyl 3-fluoranyl-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Openeye Name: methyl 3-fluoro-4-[2-(pyrimidin-2-ylamino)-1-piperidyl]benzoate CAS Name: 3-fluoro-4-[2-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-fluoro-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Traditional Name: 3-fluoro-4-[2-(2-pyrimidylamino)piperidino]benzoic acid methyl ester Formula: C17H19FN4O2 MolecularWeight: 330.356763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCCC2NC3=NC=CC=N3)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCCC2NC3=NC=CC=N3)F

InChI

InChI=1S/C17H19FN4O2/c1-24-16(23)12-6-7-14(13(18)11-12)22-10-3-2-5-15(22)21-17-19-8-4-9-20-17/h4,6-9,11,15H,2-3,5,10H2,1H3,(H,19,20,21)