oct-1-yn-3-yl 3-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: oct-1-yn-3-yl 3-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: 1-ethynylhexyl 2-benzyl-3-oxo-butanoate CAS Name: 3-oxo-2-(phenylmethyl)butanoic acid oct-1-yn-3-yl ester IUPAC Name: oct-1-yn-3-yl 2-benzyl-3-oxobutanoate Traditional Name: 2-benzyl-3-keto-butyric acid 1-amylprop-2-ynyl ester Formula: C19H24O3 MolecularWeight: 300.39206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O3/c1-4-6-8-13-17(5-2)22-19(21)18(15(3)20)14-16-11-9-7-10-12-16/h2,7,9-12,17-18H,4,6,8,13-14H2,1,3H3