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

Systemtic Name: [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-[5-(4-octylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C36H54N2O2 MolecularWeight: 546.82616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCC

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCC

InChI

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