methyl 3-fluoranyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoate

Systemtic Name: methyl 3-fluoranyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoate Openeye Name: methyl 3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1-piperidyl]benzoate CAS Name: 3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoate Traditional Name: 3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidino]benzoic acid methyl ester Formula: C17H23FN4O2 MolecularWeight: 334.388523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)NC3=NCCCN3)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)NC3=NCCCN3)F

InChI

InChI=1S/C17H23FN4O2/c1-24-16(23)12-3-4-15(14(18)11-12)22-9-5-13(6-10-22)21-17-19-7-2-8-20-17/h3-4,11,13H,2,5-10H2,1H3,(H2,19,20,21)