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

Systemtic Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-[5-(4-butylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C34H50N2O2 MolecularWeight: 518.773

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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)CCCC

Isomeric SMILES

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

InChI

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