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

Systemtic Name: [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[4-(2-fluoranylethyl)phenyl]-2-oxidanylidene-ethanoate Openeye Name: [5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-[4-(2-fluoroethyl)phenyl]-2-oxo-acetate CAS Name: 2-[4-(2-fluoroethyl)phenyl]-2-oxoacetic 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-oxoacetate Traditional Name: 2-[4-(2-fluoroethyl)phenyl]-2-keto-acetic acid (2-cumyl-5-methyl-cyclohexyl) ester Formula: C26H31FO3 MolecularWeight: 410.520943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31FO3/c1-18-9-14-22(26(2,3)21-7-5-4-6-8-21)23(17-18)30-25(29)24(28)20-12-10-19(11-13-20)15-16-27/h4-8,10-13,18,22-23H,9,14-17H2,1-3H3