2-[4-[2-(3,5-ditert-butyl-4-methoxy-phenyl)ethynyl]-2-fluoranyl-phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxy-phenyl)ethynyl]-2-fluoranyl-phenyl]ethanoic acid Openeye Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxy-phenyl)ethynyl]-2-fluoro-phenyl]acetic acid CAS Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxyphenyl)ethynyl]-2-fluorophenyl]acetic acid IUPAC Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxyphenyl)ethynyl]-2-fluorophenyl]acetic acid Traditional Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxy-phenyl)ethynyl]-2-fluoro-phenyl]acetic acid Formula: C25H29FO3 MolecularWeight: 396.494363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C#CC2=CC(=C(C=C2)CC(=O)O)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C#CC2=CC(=C(C=C2)CC(=O)O)F

InChI

InChI=1S/C25H29FO3/c1-24(2,3)19-12-17(13-20(23(19)29-7)25(4,5)6)9-8-16-10-11-18(15-22(27)28)21(26)14-16/h10-14H,15H2,1-7H3,(H,27,28)