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

Systemtic Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-[5-(4-propylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C33H48N2O2 MolecularWeight: 504.74642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)C4CCC(CC4)CCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)C4CCC(CC4)CCC

InChI

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