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

Systemtic Name: [4-[5-[2-(4-decylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-[5-[2-(4-decylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-[5-[2-(4-decylcyclohexyl)ethyl]-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-[2-(4-decylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-[5-[2-(4-decylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] ester Formula: C40H62N2O2 MolecularWeight: 602.93248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(CC1)CCC2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCC

Isomeric SMILES

CCCCCCCCCCC1CCC(CC1)CCC2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCC

InChI

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