[4-[5-[2-(4-heptylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-[5-[2-(4-heptylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-[5-[2-(4-heptylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-[5-[2-(4-heptylcyclohexyl)ethyl]-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-[2-(4-heptylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-[5-[2-(4-heptylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] ester Formula: C37H56N2O2 MolecularWeight: 560.85274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCC2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCC2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCC

InChI

InChI=1S/C37H56N2O2/c1-3-5-7-8-10-12-29-13-15-31(16-14-29)17-18-32-27-38-36(39-28-32)33-23-25-35(26-24-33)41-37(40)34-21-19-30(20-22-34)11-9-6-4-2/h23-31,34H,3-22H2,1-2H3