[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-[(4-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-[(4-methoxyphenyl)carbonylamino]ethanoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]acetic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate Traditional Name: 2-(p-anisoylamino)acetic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C25H22FNO6 MolecularWeight: 451.443683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C25H22FNO6/c1-30-21-9-7-16(8-10-21)24(29)27-13-22(28)31-14-18-11-20(26)12-19-15-32-25(33-23(18)19)17-5-3-2-4-6-17/h2-12,25H,13-15H2,1H3,(H,27,29)/t25-/m0/s1