[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C27H44O3 MolecularWeight: 416.63646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(C)C

InChI

InChI=1S/C27H44O3/c1-17(2)20-12-10-18(3)14-23(20)30-24(28)13-11-19-15-21(26(4,5)6)25(29)22(16-19)27(7,8)9/h15-18,20,23,29H,10-14H2,1-9H3/t18-,20+,23-/m1/s1