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4-[[4-cyano-3-(trifluoromethyl)phenyl]amino]butanoic acid

4-[[4-cyano-3-(trifluoromethyl)phenyl]amino]butanoic acid

Systemtic Name:4-[[4-cyano-3-(trifluoromethyl)phenyl]amino]butanoic acid
Openeye Name:4-[4-cyano-3-(trifluoromethyl)anilino]butanoic acid
CAS Name:4-[4-cyano-3-(trifluoromethyl)anilino]butanoic acid
IUPAC Name:4-[4-cyano-3-(trifluoromethyl)anilino]butanoic acid
Traditional Name:4-[4-cyano-3-(trifluoromethyl)anilino]butyric acid
Formula: C12H11F3N2O2
MolecularWeight: 272.22315
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCCCC(=O)O)C(F)(F)F)C#N


Isomeric SMILES

C1=CC(=C(C=C1NCCCC(=O)O)C(F)(F)F)C#N


InChI

InChI=1S/C12H11F3N2O2/c13-12(14,15)10-6-9(4-3-8(10)7-16)17-5-1-2-11(18)19/h3-4,6,17H,1-2,5H2,(H,18,19)


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