[4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 6-cyclopentylhexanoate

Systemtic Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 6-cyclopentylhexanoate Openeye Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 6-cyclopentylhexanoate CAS Name: 6-cyclopentylhexanoic acid [4-[4-(5-hexyl-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 6-cyclopentylhexanoate Traditional Name: 6-cyclopentylhexanoic acid [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] ester Formula: C33H42N2O2 MolecularWeight: 498.69878

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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)CCCCCC4CCCC4

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCCCC4CCCC4

InChI

InChI=1S/C33H42N2O2/c1-2-3-4-6-14-27-24-34-33(35-25-27)30-18-16-28(17-19-30)29-20-22-31(23-21-29)37-32(36)15-8-5-7-11-26-12-9-10-13-26/h16-26H,2-15H2,1H3