[(1S,2S,4R)-2-methyl-4-(2-phenylpropan-2-yl)cyclohexyl] 5-oxidanylidene-2-pent-4-enyl-cyclopentene-1-carboxylate

Systemtic Name: [(1S,2S,4R)-2-methyl-4-(2-phenylpropan-2-yl)cyclohexyl] 5-oxidanylidene-2-pent-4-enyl-cyclopentene-1-carboxylate Openeye Name: [(1S,2S,4R)-2-methyl-4-(1-methyl-1-phenyl-ethyl)cyclohexyl] 5-oxo-2-pent-4-enyl-cyclopentene-1-carboxylate CAS Name: 5-oxo-2-pent-4-enyl-1-cyclopentenecarboxylic acid [(1S,2S,4R)-2-methyl-4-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1S,2S,4R)-2-methyl-4-(2-phenylpropan-2-yl)cyclohexyl] 5-oxo-2-pent-4-enylcyclopentene-1-carboxylate Traditional Name: 5-keto-2-pent-4-enyl-cyclopentene-1-carboxylic acid [(1S,2S,4R)-4-cumyl-2-methyl-cyclohexyl] ester Formula: C27H36O3 MolecularWeight: 408.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1OC(=O)C2=C(CCC2=O)CCCC=C)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1C[C@@H](CC[C@@H]1OC(=O)C2=C(CCC2=O)CCCC=C)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C27H36O3/c1-5-6-8-11-20-14-16-23(28)25(20)26(29)30-24-17-15-22(18-19(24)2)27(3,4)21-12-9-7-10-13-21/h5,7,9-10,12-13,19,22,24H,1,6,8,11,14-18H2,2-4H3/t19-,22+,24-/m0/s1