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

Systemtic Name: [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[4-(2-fluoranylethyl)phenyl]-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-[4-(2-fluoroethyl)phenyl]-2-hydroxy-2-phenyl-acetate CAS Name: 2-[4-(2-fluoroethyl)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-(2-fluoroethyl)phenyl]-2-hydroxy-2-phenylacetate Traditional Name: 2-[4-(2-fluoroethyl)phenyl]-2-hydroxy-2-phenyl-acetic acid (2-cumyl-5-methyl-cyclohexyl) ester Formula: C32H37FO3 MolecularWeight: 488.632783

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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)CCF)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)CCF)O)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C32H37FO3/c1-23-14-19-28(31(2,3)25-10-6-4-7-11-25)29(22-23)36-30(34)32(35,26-12-8-5-9-13-26)27-17-15-24(16-18-27)20-21-33/h4-13,15-18,23,28-29,35H,14,19-22H2,1-3H3