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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N2O2/c1-7(4-11(18)19)17-9-3-2-8(6-16)10(5-9)12(13,14)15/h2-3,5,7,17H,4H2,1H3,(H,18,19)