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

Systemtic Name: [4-[5-[2-(4-butylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-[5-[2-(4-butylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-[5-[2-(4-butylcyclohexyl)ethyl]-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-[2-(4-butylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-[5-[2-(4-butylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] ester Formula: C34H50N2O2 MolecularWeight: 518.773

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC4CCC(CC4)CCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC4CCC(CC4)CCCC

InChI

InChI=1S/C34H50N2O2/c1-3-5-7-9-27-16-18-31(19-17-27)34(37)38-32-22-20-30(21-23-32)33-35-24-29(25-36-33)15-14-28-12-10-26(11-13-28)8-6-4-2/h20-28,31H,3-19H2,1-2H3