2-[4-(4-fluorophenyl)phenyl]but-3-yn-2-yl hexanoate

Systemtic Name: 2-[4-(4-fluorophenyl)phenyl]but-3-yn-2-yl hexanoate Openeye Name: [1-[4-(4-fluorophenyl)phenyl]-1-methyl-prop-2-ynyl] hexanoate CAS Name: hexanoic acid 2-[4-(4-fluorophenyl)phenyl]but-3-yn-2-yl ester IUPAC Name: 2-[4-(4-fluorophenyl)phenyl]but-3-yn-2-yl hexanoate Traditional Name: hexanoic acid [1-[4-(4-fluorophenyl)phenyl]-1-methyl-prop-2-ynyl] ester Formula: C22H23FO2 MolecularWeight: 338.415223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FO2/c1-4-6-7-8-21(24)25-22(3,5-2)19-13-9-17(10-14-19)18-11-15-20(23)16-12-18/h2,9-16H,4,6-8H2,1,3H3