(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-benzamidopropanoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-benzamidopropanoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic 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 (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H22FNO5 MolecularWeight: 435.444283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)OCC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22FNO5/c1-16(27-23(28)17-8-4-2-5-9-17)24(29)30-14-19-12-21(26)13-20-15-31-25(32-22(19)20)18-10-6-3-7-11-18/h2-13,16,25H,14-15H2,1H3,(H,27,28)/t16-,25?/m0/s1