hex-4-yn-3-yl 3-phenylpropanoate

Systemtic Name: hex-4-yn-3-yl 3-phenylpropanoate Openeye Name: 1-ethylbut-2-ynyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid hex-4-yn-3-yl ester IUPAC Name: hex-4-yn-3-yl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid 1-ethylbut-2-ynyl ester Formula: C15H18O2 MolecularWeight: 230.30222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)OC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCC(C#CC)OC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C15H18O2/c1-3-8-14(4-2)17-15(16)12-11-13-9-6-5-7-10-13/h5-7,9-10,14H,4,11-12H2,1-2H3