[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-3-methylnon-2-en-7-ynoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-3-methylnon-2-en-7-ynoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E)-3-methylnon-2-en-7-ynoate CAS Name: (E)-3-methylnon-2-en-7-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)-3-methylnon-2-en-7-ynoate Traditional Name: (E)-3-methylnon-2-en-7-ynoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C26H36O2 MolecularWeight: 380.56284

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCCC(=CC(=O)OC1CC(CCC1C(C)(C)C2=CC=CC=C2)C)C

Isomeric SMILES

CC#CCCC/C(=C/C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=CC=C2)C)/C

InChI

InChI=1S/C26H36O2/c1-6-7-8-10-13-20(2)19-25(27)28-24-18-21(3)16-17-23(24)26(4,5)22-14-11-9-12-15-22/h9,11-12,14-15,19,21,23-24H,8,10,13,16-18H2,1-5H3/b20-19+/t21-,23-,24-/m1/s1