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

Systemtic Name: [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-[5-(4-heptylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C33H48N2O2 MolecularWeight: 504.74642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48N2O2/c1-3-5-6-7-8-10-26-11-15-27(16-12-26)30-23-34-32(35-24-30)28-19-21-31(22-20-28)37-33(36)29-17-13-25(9-4-2)14-18-29/h19-27,29H,3-18H2,1-2H3