4-[1-[2,6-bis(fluoranyl)phenyl]ethylamino]benzoic acid

Systemtic Name: 4-[1-[2,6-bis(fluoranyl)phenyl]ethylamino]benzoic acid Openeye Name: 4-[1-(2,6-difluorophenyl)ethylamino]benzoic acid CAS Name: 4-[1-(2,6-difluorophenyl)ethylamino]benzoic acid IUPAC Name: 4-[1-(2,6-difluorophenyl)ethylamino]benzoic acid Traditional Name: 4-[1-(2,6-difluorophenyl)ethylamino]benzoic acid Formula: C15H13F2NO2 MolecularWeight: 277.266026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC=C1F)F)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C1=C(C=CC=C1F)F)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H13F2NO2/c1-9(14-12(16)3-2-4-13(14)17)18-11-7-5-10(6-8-11)15(19)20/h2-9,18H,1H3,(H,19,20)