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

Systemtic Name: 3-[4-(4-fluorophenyl)phenyl]hept-1-yn-3-yl 2,2-dimethylpropanoate Openeye Name: [1-ethynyl-1-[4-(4-fluorophenyl)phenyl]pentyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 3-[4-(4-fluorophenyl)phenyl]hept-1-yn-3-yl ester IUPAC Name: 3-[4-(4-fluorophenyl)phenyl]hept-1-yn-3-yl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-butyl-1-[4-(4-fluorophenyl)phenyl]prop-2-ynyl] ester Formula: C24H27FO2 MolecularWeight: 366.468383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27FO2/c1-6-8-17-24(7-2,27-22(26)23(3,4)5)20-13-9-18(10-14-20)19-11-15-21(25)16-12-19/h2,9-16H,6,8,17H2,1,3-5H3