[(E,3S,4R)-5-methyl-8-phenyl-4-propan-2-yl-oct-5-en-1-yn-3-yl] ethanoate

Systemtic Name: [(E,3S,4R)-5-methyl-8-phenyl-4-propan-2-yl-oct-5-en-1-yn-3-yl] ethanoate Openeye Name: [(E,1S,2R)-1-ethynyl-2-isopropyl-3-methyl-6-phenyl-hex-3-enyl] acetate CAS Name: acetic acid [(E,3S,4R)-5-methyl-8-phenyl-4-propan-2-yloct-5-en-1-yn-3-yl] ester IUPAC Name: [(E,3S,4R)-5-methyl-8-phenyl-4-propan-2-yloct-5-en-1-yn-3-yl] acetate Traditional Name: acetic acid [(E,1S,2R)-1-ethynyl-2-isopropyl-3-methyl-6-phenyl-hex-3-enyl] ester Formula: C20H26O2 MolecularWeight: 298.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C#C)OC(=O)C)C(=CCCC1=CC=CC=C1)C

Isomeric SMILES

CC(C)[C@@H]([C@@H](C#C)OC(=O)C)/C(=C/CCC1=CC=CC=C1)/C

InChI

InChI=1S/C20H26O2/c1-6-19(22-17(5)21)20(15(2)3)16(4)11-10-14-18-12-8-7-9-13-18/h1,7-9,11-13,15,19-20H,10,14H2,2-5H3/b16-11+/t19-,20-/m1/s1