3-[4-(4-fluorophenyl)phenyl]hept-1-yn-3-yl ethanoate

Systemtic Name: 3-[4-(4-fluorophenyl)phenyl]hept-1-yn-3-yl ethanoate Openeye Name: [1-ethynyl-1-[4-(4-fluorophenyl)phenyl]pentyl] acetate CAS Name: acetic acid 3-[4-(4-fluorophenyl)phenyl]hept-1-yn-3-yl ester IUPAC Name: 3-[4-(4-fluorophenyl)phenyl]hept-1-yn-3-yl acetate Traditional Name: acetic acid [1-butyl-1-[4-(4-fluorophenyl)phenyl]prop-2-ynyl] ester Formula: C21H21FO2 MolecularWeight: 324.388643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FO2/c1-4-6-15-21(5-2,24-16(3)23)19-11-7-17(8-12-19)18-9-13-20(22)14-10-18/h2,7-14H,4,6,15H2,1,3H3