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

Systemtic Name: (2S)-2-azaniumyl-3-[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[3-(difluoromethoxy)-4-methoxy-phenyl]propanoate CAS Name: (2S)-2-ammonio-3-[3-(difluoromethoxy)-4-methoxyphenyl]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]propanoate Traditional Name: (2S)-2-ammonio-3-[3-(difluoromethoxy)-4-methoxy-phenyl]propionate Formula: C11H13F2NO4 MolecularWeight: 261.222026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13F2NO4/c1-17-8-3-2-6(4-7(14)10(15)16)5-9(8)18-11(12)13/h2-3,5,7,11H,4,14H2,1H3,(H,15,16)/t7-/m0/s1