[2-(5-undecylpyrimidin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [2-(5-undecylpyrimidin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [2-(5-undecylpyrimidin-2-yl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [2-(5-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(5-undecylpyrimidin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [2-(5-undecylpyrimidin-2-yl)phenyl] ester Formula: C33H50N2O2 MolecularWeight: 506.7623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2OC(=O)C3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2OC(=O)C3CCC(CC3)CCCCC

InChI

InChI=1S/C33H50N2O2/c1-3-5-7-8-9-10-11-12-14-18-28-25-34-32(35-26-28)30-19-15-16-20-31(30)37-33(36)29-23-21-27(22-24-29)17-13-6-4-2/h15-16,19-20,25-27,29H,3-14,17-18,21-24H2,1-2H3