[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S,3R)-4-methyl-2-oxidanyl-3-phenyl-pent-4-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S,3R)-4-methyl-2-oxidanyl-3-phenyl-pent-4-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2S,3R)-2-hydroxy-4-methyl-3-phenyl-pent-4-enoate CAS Name: (2S,3R)-2-hydroxy-4-methyl-3-phenyl-4-pentenoic 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] (2S,3R)-2-hydroxy-4-methyl-3-phenylpent-4-enoate Traditional Name: (2S,3R)-2-hydroxy-4-methyl-3-phenyl-pent-4-enoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C28H36O3 MolecularWeight: 420.58364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C(C2=CC=CC=C2)C(=C)C)O)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]([C@@H](C2=CC=CC=C2)C(=C)C)O)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C28H36O3/c1-19(2)25(21-12-8-6-9-13-21)26(29)27(30)31-24-18-20(3)16-17-23(24)28(4,5)22-14-10-7-11-15-22/h6-15,20,23-26,29H,1,16-18H2,2-5H3/t20-,23-,24-,25-,26+/m1/s1