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

Systemtic Name: 2-[[4-cyano-3-(trifluoromethyl)phenyl]amino]butanoic acid Openeye Name: 2-[4-cyano-3-(trifluoromethyl)anilino]butanoic acid CAS Name: 2-[4-cyano-3-(trifluoromethyl)anilino]butanoic acid IUPAC Name: 2-[4-cyano-3-(trifluoromethyl)anilino]butanoic acid Traditional Name: 2-[4-cyano-3-(trifluoromethyl)anilino]butyric acid Formula: C12H11F3N2O2 MolecularWeight: 272.22315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N2O2/c1-2-10(11(18)19)17-8-4-3-7(6-16)9(5-8)12(13,14)15/h3-5,10,17H,2H2,1H3,(H,18,19)