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

Systemtic Name: 3-[4-(4-fluoranylphenoxy)phenyl]hept-1-yn-3-yl ethanoate Openeye Name: [1-ethynyl-1-[4-(4-fluorophenoxy)phenyl]pentyl] acetate CAS Name: acetic acid 3-[4-(4-fluorophenoxy)phenyl]hept-1-yn-3-yl ester IUPAC Name: 3-[4-(4-fluorophenoxy)phenyl]hept-1-yn-3-yl acetate Traditional Name: acetic acid [1-butyl-1-[4-(4-fluorophenoxy)phenyl]prop-2-ynyl] ester Formula: C21H21FO3 MolecularWeight: 340.388043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FO3/c1-4-6-15-21(5-2,25-16(3)23)17-7-11-19(12-8-17)24-20-13-9-18(22)10-14-20/h2,7-14H,4,6,15H2,1,3H3