3-[4-(4-fluoranylphenoxy)phenyl]pent-1-yn-3-yl 2,2-dimethylpropanoate

Systemtic Name: 3-[4-(4-fluoranylphenoxy)phenyl]pent-1-yn-3-yl 2,2-dimethylpropanoate Openeye Name: [1-ethyl-1-[4-(4-fluorophenoxy)phenyl]prop-2-ynyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 3-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-yl ester IUPAC Name: 3-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-yl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-ethyl-1-[4-(4-fluorophenoxy)phenyl]prop-2-ynyl] ester Formula: C22H23FO3 MolecularWeight: 354.414623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)F)OC(=O)C(C)(C)C

Isomeric SMILES

CCC(C#C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)F)OC(=O)C(C)(C)C

InChI

InChI=1S/C22H23FO3/c1-6-22(7-2,26-20(24)21(3,4)5)16-8-12-18(13-9-16)25-19-14-10-17(23)11-15-19/h1,8-15H,7H2,2-5H3