6-[[2-cyano-4-(trifluoromethyl)phenyl]amino]hexanoic acid

Systemtic Name: 6-[[2-cyano-4-(trifluoromethyl)phenyl]amino]hexanoic acid Openeye Name: 6-[2-cyano-4-(trifluoromethyl)anilino]hexanoic acid CAS Name: 6-[2-cyano-4-(trifluoromethyl)anilino]hexanoic acid IUPAC Name: 6-[2-cyano-4-(trifluoromethyl)anilino]hexanoic acid Traditional Name: 6-[2-cyano-4-(trifluoromethyl)anilino]hexanoic acid Formula: C14H15F3N2O2 MolecularWeight: 300.27631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3N2O2/c15-14(16,17)11-5-6-12(10(8-11)9-18)19-7-3-1-2-4-13(20)21/h5-6,8,19H,1-4,7H2,(H,20,21)