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

Systemtic Name: [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-[5-(4-ethylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C32H46N2O2 MolecularWeight: 490.71984

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C32H46N2O2/c1-3-5-6-7-8-9-25-12-16-28(17-13-25)32(35)36-30-20-18-27(19-21-30)31-33-22-29(23-34-31)26-14-10-24(4-2)11-15-26/h18-26,28H,3-17H2,1-2H3