[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-non-2-en-8-ynoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-non-2-en-8-ynoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E)-non-2-en-8-ynoate CAS Name: (E)-non-2-en-8-ynoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-non-2-en-8-ynoate Traditional Name: (E)-non-2-en-8-ynoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C25H34O2 MolecularWeight: 366.53626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=CCCCCC#C)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C=C/CCCCC#C)C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C25H34O2/c1-5-6-7-8-9-13-16-24(26)27-23-19-20(2)17-18-22(23)25(3,4)21-14-11-10-12-15-21/h1,10-16,20,22-23H,6-9,17-19H2,2-4H3/b16-13+/t20-,22-,23-/m1/s1