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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3N2O2/c1-3-6-13(2,12(20)21)19-10-5-4-9(8-18)11(7-10)14(15,16)17/h4-5,7,19H,3,6H2,1-2H3,(H,20,21)