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

Systemtic Name: [4-[5-[2-(4-pentylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-[5-[2-(4-pentylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-[5-[2-(4-pentylcyclohexyl)ethyl]-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-[2-(4-pentylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-[5-[2-(4-amylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] ester Formula: C35H52N2O2 MolecularWeight: 532.79958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CCC2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCC

Isomeric SMILES

CCCCCC1CCC(CC1)CCC2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCC

InChI

InChI=1S/C35H52N2O2/c1-3-5-7-9-27-11-13-29(14-12-27)15-16-30-25-36-34(37-26-30)31-21-23-33(24-22-31)39-35(38)32-19-17-28(18-20-32)10-8-6-4-2/h21-29,32H,3-20H2,1-2H3