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

Systemtic Name: methyl 2,3-bis(fluoranyl)-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Openeye Name: methyl 2,3-difluoro-4-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoate CAS Name: 2,3-difluoro-4-[4-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 2,3-difluoro-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Traditional Name: 2,3-difluoro-4-[4-(2-pyrimidylamino)piperidino]benzoic acid methyl ester Formula: C17H18F2N4O2 MolecularWeight: 348.347226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18F2N4O2/c1-25-16(24)12-3-4-13(15(19)14(12)18)23-9-5-11(6-10-23)22-17-20-7-2-8-21-17/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,20,21,22)