2-azanyl-4-[[4-fluoranyl-3-(trifluoromethyl)phenyl]-phenyl-methyl]sulfanyl-butanoic acid

Systemtic Name: 2-azanyl-4-[[4-fluoranyl-3-(trifluoromethyl)phenyl]-phenyl-methyl]sulfanyl-butanoic acid Openeye Name: 2-amino-4-[[4-fluoro-3-(trifluoromethyl)phenyl]-phenyl-methyl]sulfanyl-butanoic acid CAS Name: 2-amino-4-[[[4-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]thio]butanoic acid IUPAC Name: 2-amino-4-[[4-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]sulfanylbutanoic acid Traditional Name: 2-amino-4-[[[4-fluoro-3-(trifluoromethyl)phenyl]-phenyl-methyl]thio]butyric acid Formula: C18H17F4NO2S MolecularWeight: 387.391693

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC(=C(C=C2)F)C(F)(F)F)SCCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC(=C(C=C2)F)C(F)(F)F)SCCC(C(=O)O)N

InChI

InChI=1S/C18H17F4NO2S/c19-14-7-6-12(10-13(14)18(20,21)22)16(11-4-2-1-3-5-11)26-9-8-15(23)17(24)25/h1-7,10,15-16H,8-9,23H2,(H,24,25)