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

Systemtic Name: [4-[5-(4-nonylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-nonylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-[5-(4-nonylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-nonylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-[5-(4-nonylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C39H60N2O2 MolecularWeight: 588.9059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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