2-[[4-cyano-3-(trifluoromethyl)phenyl]amino]hexanoic acid

Systemtic Name: 2-[[4-cyano-3-(trifluoromethyl)phenyl]amino]hexanoic acid Openeye Name: 2-[4-cyano-3-(trifluoromethyl)anilino]hexanoic acid CAS Name: 2-[4-cyano-3-(trifluoromethyl)anilino]hexanoic acid IUPAC Name: 2-[4-cyano-3-(trifluoromethyl)anilino]hexanoic acid Traditional Name: 2-[4-cyano-3-(trifluoromethyl)anilino]hexanoic acid Formula: C14H15F3N2O2 MolecularWeight: 300.27631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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