(2-bromanyl-4-fluoranyl-phenyl)methyl 2-(furan-2-ylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl 2-(furan-2-ylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl 2-(furan-2-carbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(2-furoylamino)-4,5-dimethoxy-benzoic acid (2-bromo-4-fluoro-benzyl) ester Formula: C21H17BrFNO6 MolecularWeight: 478.265183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=C(C=C(C=C2)F)Br)NC(=O)C3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=C(C=C(C=C2)F)Br)NC(=O)C3=CC=CO3)OC

InChI

InChI=1S/C21H17BrFNO6/c1-27-18-9-14(21(26)30-11-12-5-6-13(23)8-15(12)22)16(10-19(18)28-2)24-20(25)17-4-3-7-29-17/h3-10H,11H2,1-2H3,(H,24,25)