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

Systemtic Name: [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-[5-(4-decylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C36H54N2O2 MolecularWeight: 546.82616

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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C36H54N2O2/c1-3-5-6-7-8-9-10-11-13-29-14-18-30(19-15-29)33-26-37-35(38-27-33)31-22-24-34(25-23-31)40-36(39)32-20-16-28(12-4-2)17-21-32/h22-30,32H,3-21H2,1-2H3