[4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 8-cyclopentyloctanoate

Systemtic Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 8-cyclopentyloctanoate Openeye Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 8-cyclopentyloctanoate CAS Name: 8-cyclopentyloctanoic acid [4-[4-(5-hexyl-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 8-cyclopentyloctanoate Traditional Name: 8-cyclopentylcaprylic acid [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] ester Formula: C35H46N2O2 MolecularWeight: 526.75194

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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)CCCCCCCC4CCCC4

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCCCCCC4CCCC4

InChI

InChI=1S/C35H46N2O2/c1-2-3-4-8-16-29-26-36-35(37-27-29)32-20-18-30(19-21-32)31-22-24-33(25-23-31)39-34(38)17-10-7-5-6-9-13-28-14-11-12-15-28/h18-28H,2-17H2,1H3