(2S)-2-(azaniumylmethyl)-3-[4-(trifluoromethyloxy)phenyl]propanoate

Systemtic Name: (2S)-2-(azaniumylmethyl)-3-[4-(trifluoromethyloxy)phenyl]propanoate Openeye Name: (2S)-2-(azaniumylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanoate CAS Name: (2S)-2-(ammoniomethyl)-3-[4-(trifluoromethoxy)phenyl]propanoate IUPAC Name: (2S)-2-(azaniumylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanoate Traditional Name: (2S)-2-(ammoniomethyl)-3-[4-(trifluoromethoxy)phenyl]propionate Formula: C11H12F3NO3 MolecularWeight: 263.21309

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C[NH3+])C(=O)[O-])OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C[NH3+])C(=O)[O-])OC(F)(F)F

InChI

InChI=1S/C11H12F3NO3/c12-11(13,14)18-9-3-1-7(2-4-9)5-8(6-15)10(16)17/h1-4,8H,5-6,15H2,(H,16,17)/t8-/m0/s1