(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H24FNO6 MolecularWeight: 453.459563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC(C)C(C(=O)OCC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H24FNO6/c1-15(2)21(27-23(28)20-9-6-10-30-20)24(29)31-13-17-11-19(26)12-18-14-32-25(33-22(17)18)16-7-4-3-5-8-16/h3-12,15,21,25H,13-14H2,1-2H3,(H,27,28)