[4-(5-octylpyrimidin-2-yl)phenyl] 3-(4-hexylcyclohexyl)propanoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-(4-hexylcyclohexyl)propanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-(4-hexylcyclohexyl)propanoate CAS Name: 3-(4-hexylcyclohexyl)propanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-(4-hexylcyclohexyl)propanoate Traditional Name: 3-(4-hexylcyclohexyl)propionic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C33H50N2O2 MolecularWeight: 506.7623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCC3CCC(CC3)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCC3CCC(CC3)CCCCCC

InChI

InChI=1S/C33H50N2O2/c1-3-5-7-9-10-12-14-29-25-34-33(35-26-29)30-20-22-31(23-21-30)37-32(36)24-19-28-17-15-27(16-18-28)13-11-8-6-4-2/h20-23,25-28H,3-19,24H2,1-2H3