[4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dioxane-5-carboxylate

Systemtic Name: [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-pentyl-1,3-dioxane-5-carboxylic acid [4-[5-(4-decylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-1,3-dioxane-5-carboxylic acid [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C36H54N2O4 MolecularWeight: 578.82496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4COC(OC4)CCCCC

Isomeric SMILES

CCCCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4COC(OC4)CCCCC

InChI

InChI=1S/C36H54N2O4/c1-3-5-7-8-9-10-11-13-14-28-16-18-29(19-17-28)31-24-37-35(38-25-31)30-20-22-33(23-21-30)42-36(39)32-26-40-34(41-27-32)15-12-6-4-2/h20-25,28-29,32,34H,3-19,26-27H2,1-2H3