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

Systemtic Name: [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-[5-(4-heptylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C37H56N2O2 MolecularWeight: 560.85274

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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)CCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C37H56N2O2/c1-3-5-7-9-11-13-29-15-19-31(20-16-29)34-27-38-36(39-28-34)32-23-25-35(26-24-32)41-37(40)33-21-17-30(18-22-33)14-12-10-8-6-4-2/h23-31,33H,3-22H2,1-2H3