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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC1=C(C=C(C=C1)C(F)(F)F)C#N

Isomeric SMILES

CCCCC(C(=O)O)NC1=C(C=C(C=C1)C(F)(F)F)C#N

InChI

InChI=1S/C14H15F3N2O2/c1-2-3-4-12(13(20)21)19-11-6-5-10(14(15,16)17)7-9(11)8-18/h5-7,12,19H,2-4H2,1H3,(H,20,21)