[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[4-(3-fluoranylpropyl)phenyl]-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[4-(3-fluoranylpropyl)phenyl]-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-[4-(3-fluoropropyl)phenyl]-2-hydroxy-2-phenyl-acetate CAS Name: 2-[4-(3-fluoropropyl)phenyl]-2-hydroxy-2-phenylacetic acid [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[4-(3-fluoropropyl)phenyl]-2-hydroxy-2-phenylacetate Traditional Name: 2-[4-(3-fluoropropyl)phenyl]-2-hydroxy-2-phenyl-acetic acid (2-cumyl-5-methyl-cyclohexyl) ester Formula: C33H39FO3 MolecularWeight: 502.659363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=C(C=C3)CCCF)O)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=C(C=C3)CCCF)O)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C33H39FO3/c1-24-16-21-29(32(2,3)26-12-6-4-7-13-26)30(23-24)37-31(35)33(36,27-14-8-5-9-15-27)28-19-17-25(18-20-28)11-10-22-34/h4-9,12-15,17-20,24,29-30,36H,10-11,16,21-23H2,1-3H3