4-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid

Systemtic Name: 4-(2-phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid Openeye Name: 4-(2-phenylethynyl)-2-[3-(trifluoromethyl)anilino]benzoic acid CAS Name: 4-(2-phenylethynyl)-2-[3-(trifluoromethyl)anilino]benzoic acid IUPAC Name: 4-(2-phenylethynyl)-2-[3-(trifluoromethyl)anilino]benzoic acid Traditional Name: 4-(2-phenylethynyl)-2-[3-(trifluoromethyl)anilino]benzoic acid Formula: C22H14F3NO2 MolecularWeight: 381.34727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C(=O)O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C(=O)O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H14F3NO2/c23-22(24,25)17-7-4-8-18(14-17)26-20-13-16(11-12-19(20)21(27)28)10-9-15-5-2-1-3-6-15/h1-8,11-14,26H,(H,27,28)