4-[2-[2-(3-azido-2-tert-butyl-phenoxy)phenyl]ethynyl]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[2-[2-(3-azido-2-tert-butyl-phenoxy)phenyl]ethynyl]-2-fluoranyl-benzoic acid Openeye Name: 4-[2-[2-(3-azido-2-tert-butyl-phenoxy)phenyl]ethynyl]-2-fluoro-benzoic acid CAS Name: 4-[2-[2-(3-azido-2-tert-butylphenoxy)phenyl]ethynyl]-2-fluorobenzoic acid IUPAC Name: 4-[2-[2-(3-azido-2-tert-butylphenoxy)phenyl]ethynyl]-2-fluorobenzoic acid Traditional Name: 4-[2-[2-(3-azido-2-tert-butyl-phenoxy)phenyl]ethynyl]-2-fluoro-benzoic acid Formula: C25H20FN3O3 MolecularWeight: 429.443003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC=C1OC2=CC=CC=C2C#CC3=CC(=C(C=C3)C(=O)O)F)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)C1=C(C=CC=C1OC2=CC=CC=C2C#CC3=CC(=C(C=C3)C(=O)O)F)N=[N+]=[N-]

InChI

InChI=1S/C25H20FN3O3/c1-25(2,3)23-20(28-29-27)8-6-10-22(23)32-21-9-5-4-7-17(21)13-11-16-12-14-18(24(30)31)19(26)15-16/h4-10,12,14-15H,1-3H3,(H,30,31)