[(1R,2R)-2-(4-tert-butylphenoxy)cyclohexyl] (2R)-2-oxidanyl-2-phenyl-butanoate

Systemtic Name: [(1R,2R)-2-(4-tert-butylphenoxy)cyclohexyl] (2R)-2-oxidanyl-2-phenyl-butanoate Openeye Name: [(1R,2R)-2-(4-tert-butylphenoxy)cyclohexyl] (2R)-2-hydroxy-2-phenyl-butanoate CAS Name: (2R)-2-hydroxy-2-phenylbutanoic acid [(1R,2R)-2-(4-tert-butylphenoxy)cyclohexyl] ester IUPAC Name: [(1R,2R)-2-(4-tert-butylphenoxy)cyclohexyl] (2R)-2-hydroxy-2-phenylbutanoate Traditional Name: (2R)-2-hydroxy-2-phenyl-butyric acid [(1R,2R)-2-(4-tert-butylphenoxy)cyclohexyl] ester Formula: C26H34O4 MolecularWeight: 410.54576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(=O)OC2CCCCC2OC3=CC=C(C=C3)C(C)(C)C)O

Isomeric SMILES

CC[C@@](C1=CC=CC=C1)(C(=O)O[C@@H]2CCCC[C@H]2OC3=CC=C(C=C3)C(C)(C)C)O

InChI

InChI=1S/C26H34O4/c1-5-26(28,20-11-7-6-8-12-20)24(27)30-23-14-10-9-13-22(23)29-21-17-15-19(16-18-21)25(2,3)4/h6-8,11-12,15-18,22-23,28H,5,9-10,13-14H2,1-4H3/t22-,23-,26-/m1/s1