[(4R)-undec-2-yn-4-yl] (2S)-2-methoxy-2-phenyl-ethanoate

Systemtic Name: [(4R)-undec-2-yn-4-yl] (2S)-2-methoxy-2-phenyl-ethanoate Openeye Name: [(1R)-1-prop-1-ynyloctyl] (2S)-2-methoxy-2-phenyl-acetate CAS Name: (2S)-2-methoxy-2-phenylacetic acid [(4R)-undec-2-yn-4-yl] ester IUPAC Name: [(4R)-undec-2-yn-4-yl] (2S)-2-methoxy-2-phenylacetate Traditional Name: (2S)-2-methoxy-2-phenyl-acetic acid [(1R)-1-heptylbut-2-ynyl] ester Formula: C20H28O3 MolecularWeight: 316.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCC[C@H](C#CC)OC(=O)[C@H](C1=CC=CC=C1)OC

InChI

InChI=1S/C20H28O3/c1-4-6-7-8-12-16-18(13-5-2)23-20(21)19(22-3)17-14-10-9-11-15-17/h9-11,14-15,18-19H,4,6-8,12,16H2,1-3H3/t18-,19-/m0/s1