[4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 9-cyclopentylnonanoate

Systemtic Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 9-cyclopentylnonanoate Openeye Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 9-cyclopentylnonanoate CAS Name: 9-cyclopentylnonanoic acid [4-[4-(5-hexyl-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 9-cyclopentylnonanoate Traditional Name: 9-cyclopentylpelargonic acid [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] ester Formula: C36H48N2O2 MolecularWeight: 540.77852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCCCCCCC4CCCC4

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCCCCCCC4CCCC4

InChI

InChI=1S/C36H48N2O2/c1-2-3-4-9-17-30-27-37-36(38-28-30)33-21-19-31(20-22-33)32-23-25-34(26-24-32)40-35(39)18-11-8-6-5-7-10-14-29-15-12-13-16-29/h19-29H,2-18H2,1H3