methyl 2-[4-[[(1-azanylcyclopropyl)carbonylamino]methyl]-3-fluoranyl-phenyl]-6-fluoranyl-benzoate

Systemtic Name: methyl 2-[4-[[(1-azanylcyclopropyl)carbonylamino]methyl]-3-fluoranyl-phenyl]-6-fluoranyl-benzoate Openeye Name: methyl 2-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]-3-fluoro-phenyl]-6-fluoro-benzoate CAS Name: 2-[4-[[[(1-aminocyclopropyl)-oxomethyl]amino]methyl]-3-fluorophenyl]-6-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]-3-fluorophenyl]-6-fluorobenzoate Traditional Name: 2-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]-3-fluoro-phenyl]-6-fluoro-benzoic acid methyl ester Formula: C19H18F2N2O3 MolecularWeight: 360.354626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F2N2O3/c1-26-17(24)16-13(3-2-4-14(16)20)11-5-6-12(15(21)9-11)10-23-18(25)19(22)7-8-19/h2-6,9H,7-8,10,22H2,1H3,(H,23,25)