(2S)-2-azaniumyl-3,3-bis(fluoranyl)-3-(4-methoxyphenyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3,3-bis(fluoranyl)-3-(4-methoxyphenyl)propanoate Openeye Name: (2S)-2-azaniumyl-3,3-difluoro-3-(4-methoxyphenyl)propanoate CAS Name: (2S)-2-ammonio-3,3-difluoro-3-(4-methoxyphenyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3,3-difluoro-3-(4-methoxyphenyl)propanoate Traditional Name: (2S)-2-ammonio-3,3-difluoro-3-(4-methoxyphenyl)propionate Formula: C10H11F2NO3 MolecularWeight: 231.196046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C(=O)[O-])[NH3+])(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C([C@H](C(=O)[O-])[NH3+])(F)F

InChI

InChI=1S/C10H11F2NO3/c1-16-7-4-2-6(3-5-7)10(11,12)8(13)9(14)15/h2-5,8H,13H2,1H3,(H,14,15)/t8-/m0/s1