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

Systemtic Name: 2-[[4-cyano-3-(trifluoromethyl)phenyl]-propyl-amino]ethanoic acid Openeye Name: 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]acetic acid CAS Name: 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]acetic acid IUPAC Name: 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]acetic acid Traditional Name: 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]acetic acid Formula: C13H13F3N2O2 MolecularWeight: 286.24973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3N2O2/c1-2-5-18(8-12(19)20)10-4-3-9(7-17)11(6-10)13(14,15)16/h3-4,6H,2,5,8H2,1H3,(H,19,20)