(3S)-3-azaniumyl-4-[4-(trifluoromethyl)phenyl]butanoate

Systemtic Name: (3S)-3-azaniumyl-4-[4-(trifluoromethyl)phenyl]butanoate Openeye Name: (3S)-3-azaniumyl-4-[4-(trifluoromethyl)phenyl]butanoate CAS Name: (3S)-3-ammonio-4-[4-(trifluoromethyl)phenyl]butanoate IUPAC Name: (3S)-3-azaniumyl-4-[4-(trifluoromethyl)phenyl]butanoate Traditional Name: (3S)-3-ammonio-4-[4-(trifluoromethyl)phenyl]butyrate Formula: C11H12F3NO2 MolecularWeight: 247.21369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12F3NO2/c12-11(13,14)8-3-1-7(2-4-8)5-9(15)6-10(16)17/h1-4,9H,5-6,15H2,(H,16,17)/t9-/m0/s1