(2S)-2-azaniumyl-3-[4-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[4-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[4-(difluoromethoxy)-3-ethoxy-phenyl]propanoate CAS Name: (2S)-2-ammonio-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoate Traditional Name: (2S)-2-ammonio-3-[4-(difluoromethoxy)-3-ethoxy-phenyl]propionate Formula: C12H15F2NO4 MolecularWeight: 275.248606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(C(=O)[O-])[NH3+])OC(F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[C@@H](C(=O)[O-])[NH3+])OC(F)F

InChI

InChI=1S/C12H15F2NO4/c1-2-18-10-6-7(5-8(15)11(16)17)3-4-9(10)19-12(13)14/h3-4,6,8,12H,2,5,15H2,1H3,(H,16,17)/t8-/m0/s1