3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]propanoic acid

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]propanoic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]propanoic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]propanoic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methylamino]propanoic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]amino]propionic acid Formula: C12H11F6NO2 MolecularWeight: 315.211659

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CNCCC(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CNCCC(=O)O

InChI

InChI=1S/C12H11F6NO2/c13-11(14,15)8-3-7(6-19-2-1-10(20)21)4-9(5-8)12(16,17)18/h3-5,19H,1-2,6H2,(H,20,21)