[4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate

Systemtic Name: [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-[5-(4-decylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C40H62N2O2 MolecularWeight: 602.93248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCCCC

Isomeric SMILES

CCCCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCCCC

InChI

InChI=1S/C40H62N2O2/c1-3-5-7-9-10-11-13-15-17-32-18-22-34(23-19-32)37-30-41-39(42-31-37)35-26-28-38(29-27-35)44-40(43)36-24-20-33(21-25-36)16-14-12-8-6-4-2/h26-34,36H,3-25H2,1-2H3