methyl 2-[6-[[(1-azanylcyclopropyl)carbonylamino]methyl]-5-fluoranyl-pyridin-3-yl]-6-fluoranyl-benzoate

Systemtic Name: methyl 2-[6-[[(1-azanylcyclopropyl)carbonylamino]methyl]-5-fluoranyl-pyridin-3-yl]-6-fluoranyl-benzoate Openeye Name: methyl 2-[6-[[(1-aminocyclopropanecarbonyl)amino]methyl]-5-fluoro-3-pyridyl]-6-fluoro-benzoate CAS Name: 2-[6-[[[(1-aminocyclopropyl)-oxomethyl]amino]methyl]-5-fluoro-3-pyridinyl]-6-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-[6-[[(1-aminocyclopropanecarbonyl)amino]methyl]-5-fluoropyridin-3-yl]-6-fluorobenzoate Traditional Name: 2-[6-[[(1-aminocyclopropanecarbonyl)amino]methyl]-5-fluoro-3-pyridyl]-6-fluoro-benzoic acid methyl ester Formula: C18H17F2N3O3 MolecularWeight: 361.342686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(N=C2)CNC(=O)C3(CC3)N)F

Isomeric SMILES

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(N=C2)CNC(=O)C3(CC3)N)F

InChI

InChI=1S/C18H17F2N3O3/c1-26-16(24)15-11(3-2-4-12(15)19)10-7-13(20)14(22-8-10)9-23-17(25)18(21)5-6-18/h2-4,7-8H,5-6,9,21H2,1H3,(H,23,25)