[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] but-2-ynoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] but-2-ynoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] but-2-ynoate CAS Name: 2-butynoic 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] but-2-ynoate Traditional Name: but-2-ynoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C20H26O2 MolecularWeight: 298.41924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O2/c1-5-9-19(21)22-18-14-15(2)12-13-17(18)20(3,4)16-10-7-6-8-11-16/h6-8,10-11,15,17-18H,12-14H2,1-4H3/t15-,17-,18-/m1/s1