pent-4-yn-2-yl 3-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: pent-4-yn-2-yl 3-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: 1-methylbut-3-ynyl 2-benzyl-3-oxo-butanoate CAS Name: 3-oxo-2-(phenylmethyl)butanoic acid pent-4-yn-2-yl ester IUPAC Name: pent-4-yn-2-yl 2-benzyl-3-oxobutanoate Traditional Name: 2-benzyl-3-keto-butyric acid 1-methylbut-3-ynyl ester Formula: C16H18O3 MolecularWeight: 258.31232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC#C)OC(=O)C(CC1=CC=CC=C1)C(=O)C

Isomeric SMILES

CC(CC#C)OC(=O)C(CC1=CC=CC=C1)C(=O)C

InChI

InChI=1S/C16H18O3/c1-4-8-12(2)19-16(18)15(13(3)17)11-14-9-6-5-7-10-14/h1,5-7,9-10,12,15H,8,11H2,2-3H3