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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3N2O2/c1-9(2)7-19(8-13(20)21)11-4-3-10(6-18)12(5-11)14(15,16)17/h3-5,9H,7-8H2,1-2H3,(H,20,21)