3-(4-phenoxyphenyl)hept-1-yn-3-yl ethanoate

Systemtic Name: 3-(4-phenoxyphenyl)hept-1-yn-3-yl ethanoate Openeye Name: [1-ethynyl-1-(4-phenoxyphenyl)pentyl] acetate CAS Name: acetic acid 3-(4-phenoxyphenyl)hept-1-yn-3-yl ester IUPAC Name: 3-(4-phenoxyphenyl)hept-1-yn-3-yl acetate Traditional Name: acetic acid [1-butyl-1-(4-phenoxyphenyl)prop-2-ynyl] ester Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O3/c1-4-6-16-21(5-2,24-17(3)22)18-12-14-20(15-13-18)23-19-10-8-7-9-11-19/h2,7-15H,4,6,16H2,1,3H3