5-[[3-(trifluoromethyl)phenyl]amino]pentanoate

Systemtic Name: 5-[[3-(trifluoromethyl)phenyl]amino]pentanoate Openeye Name: 5-[3-(trifluoromethyl)anilino]pentanoate CAS Name: 5-[3-(trifluoromethyl)anilino]pentanoate IUPAC Name: 5-[3-(trifluoromethyl)anilino]pentanoate Traditional Name: 5-[3-(trifluoromethyl)anilino]valerate Formula: C12H13F3NO2- MolecularWeight: 260.23233

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCCCCC(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NCCCCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H14F3NO2/c13-12(14,15)9-4-3-5-10(8-9)16-7-2-1-6-11(17)18/h3-5,8,16H,1-2,6-7H2,(H,17,18)/p-1