[2-(2-phenylpropan-2-yl)cyclohexyl] 2-[3-(acetyloxymethyl)-2-fluoranyl-pyridin-4-yl]-2-oxidanyl-butanoate

Systemtic Name: [2-(2-phenylpropan-2-yl)cyclohexyl] 2-[3-(acetyloxymethyl)-2-fluoranyl-pyridin-4-yl]-2-oxidanyl-butanoate Openeye Name: [2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-[3-(acetoxymethyl)-2-fluoro-4-pyridyl]-2-hydroxy-butanoate CAS Name: 2-[3-(acetyloxymethyl)-2-fluoro-4-pyridinyl]-2-hydroxybutanoic acid [2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [2-(2-phenylpropan-2-yl)cyclohexyl] 2-[3-(acetyloxymethyl)-2-fluoropyridin-4-yl]-2-hydroxybutanoate Traditional Name: 2-[3-(acetoxymethyl)-2-fluoro-4-pyridyl]-2-hydroxy-butyric acid (2-cumylcyclohexyl) ester Formula: C27H34FNO5 MolecularWeight: 471.560963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=NC=C1)F)COC(=O)C)(C(=O)OC2CCCCC2C(C)(C)C3=CC=CC=C3)O

Isomeric SMILES

CCC(C1=C(C(=NC=C1)F)COC(=O)C)(C(=O)OC2CCCCC2C(C)(C)C3=CC=CC=C3)O

InChI

InChI=1S/C27H34FNO5/c1-5-27(32,21-15-16-29-24(28)20(21)17-33-18(2)30)25(31)34-23-14-10-9-13-22(23)26(3,4)19-11-7-6-8-12-19/h6-8,11-12,15-16,22-23,32H,5,9-10,13-14,17H2,1-4H3