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

Systemtic Name: [4-[5-[2-(4-nonylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-[5-[2-(4-nonylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-[5-[2-(4-nonylcyclohexyl)ethyl]-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-[2-(4-nonylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-[5-[2-(4-nonylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] ester Formula: C39H60N2O2 MolecularWeight: 588.9059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)CCC2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCC

Isomeric SMILES

CCCCCCCCCC1CCC(CC1)CCC2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCC

InChI

InChI=1S/C39H60N2O2/c1-3-5-7-8-9-10-12-14-31-15-17-33(18-16-31)19-20-34-29-40-38(41-30-34)35-25-27-37(28-26-35)43-39(42)36-23-21-32(22-24-36)13-11-6-4-2/h25-33,36H,3-24H2,1-2H3