4-[[2-cyano-4-(trifluoromethyl)phenyl]amino]butanoic acid

Systemtic Name: 4-[[2-cyano-4-(trifluoromethyl)phenyl]amino]butanoic acid Openeye Name: 4-[2-cyano-4-(trifluoromethyl)anilino]butanoic acid CAS Name: 4-[2-cyano-4-(trifluoromethyl)anilino]butanoic acid IUPAC Name: 4-[2-cyano-4-(trifluoromethyl)anilino]butanoic acid Traditional Name: 4-[2-cyano-4-(trifluoromethyl)anilino]butyric acid Formula: C12H11F3N2O2 MolecularWeight: 272.22315

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)C#N)NCCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)C#N)NCCCC(=O)O

InChI

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