6-[2-[4-(4-tert-butylphenoxy)-3-(trifluoromethyl)phenyl]ethynyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-[4-(4-tert-butylphenoxy)-3-(trifluoromethyl)phenyl]ethynyl]pyridine-3-carboxylic acid Openeye Name: 6-[2-[4-(4-tert-butylphenoxy)-3-(trifluoromethyl)phenyl]ethynyl]pyridine-3-carboxylic acid CAS Name: 6-[2-[4-(4-tert-butylphenoxy)-3-(trifluoromethyl)phenyl]ethynyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-[4-(4-tert-butylphenoxy)-3-(trifluoromethyl)phenyl]ethynyl]pyridine-3-carboxylic acid Traditional Name: 6-[2-[4-(4-tert-butylphenoxy)-3-(trifluoromethyl)phenyl]ethynyl]nicotinic acid Formula: C25H20F3NO3 MolecularWeight: 439.42641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C25H20F3NO3/c1-24(2,3)18-7-11-20(12-8-18)32-22-13-5-16(14-21(22)25(26,27)28)4-9-19-10-6-17(15-29-19)23(30)31/h5-8,10-15H,1-3H3,(H,30,31)