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

Systemtic Name: methyl 2-[4-[[(1-acetamidocyclopropyl)carbonylamino]methyl]-3-fluoranyl-phenyl]-6-fluoranyl-benzoate Openeye Name: methyl 2-[4-[[(1-acetamidocyclopropanecarbonyl)amino]methyl]-3-fluoro-phenyl]-6-fluoro-benzoate CAS Name: 2-[4-[[[(1-acetamidocyclopropyl)-oxomethyl]amino]methyl]-3-fluorophenyl]-6-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[[(1-acetamidocyclopropanecarbonyl)amino]methyl]-3-fluorophenyl]-6-fluorobenzoate Traditional Name: 2-[4-[[(1-acetamidocyclopropanecarbonyl)amino]methyl]-3-fluoro-phenyl]-6-fluoro-benzoic acid methyl ester Formula: C21H20F2N2O4 MolecularWeight: 402.391306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CC1)C(=O)NCC2=C(C=C(C=C2)C3=C(C(=CC=C3)F)C(=O)OC)F

Isomeric SMILES

CC(=O)NC1(CC1)C(=O)NCC2=C(C=C(C=C2)C3=C(C(=CC=C3)F)C(=O)OC)F

InChI

InChI=1S/C21H20F2N2O4/c1-12(26)25-21(8-9-21)20(28)24-11-14-7-6-13(10-17(14)23)15-4-3-5-16(22)18(15)19(27)29-2/h3-7,10H,8-9,11H2,1-2H3,(H,24,28)(H,25,26)