3-[4-(4-fluorophenyl)phenyl]hex-1-yn-3-yl 2,2-dimethylpropanoate

Systemtic Name: 3-[4-(4-fluorophenyl)phenyl]hex-1-yn-3-yl 2,2-dimethylpropanoate Openeye Name: [1-ethynyl-1-[4-(4-fluorophenyl)phenyl]butyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 3-[4-(4-fluorophenyl)phenyl]hex-1-yn-3-yl ester IUPAC Name: 3-[4-(4-fluorophenyl)phenyl]hex-1-yn-3-yl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-[4-(4-fluorophenyl)phenyl]-1-propyl-prop-2-ynyl] ester Formula: C23H25FO2 MolecularWeight: 352.441803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#C)(C1=CC=C(C=C1)C2=CC=C(C=C2)F)OC(=O)C(C)(C)C

Isomeric SMILES

CCCC(C#C)(C1=CC=C(C=C1)C2=CC=C(C=C2)F)OC(=O)C(C)(C)C

InChI

InChI=1S/C23H25FO2/c1-6-16-23(7-2,26-21(25)22(3,4)5)19-12-8-17(9-13-19)18-10-14-20(24)15-11-18/h2,8-15H,6,16H2,1,3-5H3