[(3R)-1-phenylpent-1-yn-3-yl] (3R)-3,5,5-trimethylhexanoate

Systemtic Name: [(3R)-1-phenylpent-1-yn-3-yl] (3R)-3,5,5-trimethylhexanoate Openeye Name: [(1R)-1-ethyl-3-phenyl-prop-2-ynyl] (3R)-3,5,5-trimethylhexanoate CAS Name: (3R)-3,5,5-trimethylhexanoic acid [(3R)-1-phenylpent-1-yn-3-yl] ester IUPAC Name: [(3R)-1-phenylpent-1-yn-3-yl] (3R)-3,5,5-trimethylhexanoate Traditional Name: (3R)-3,5,5-trimethylhexanoic acid [(1R)-1-ethyl-3-phenyl-prop-2-ynyl] ester Formula: C20H28O2 MolecularWeight: 300.43512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C#CC1=CC=CC=C1)OC(=O)C[C@H](C)CC(C)(C)C

InChI

InChI=1S/C20H28O2/c1-6-18(13-12-17-10-8-7-9-11-17)22-19(21)14-16(2)15-20(3,4)5/h7-11,16,18H,6,14-15H2,1-5H3/t16-,18+/m0/s1