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

Systemtic Name: [4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl] 8-cyclopentyloctanoate Openeye Name: [4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl] 8-cyclopentyloctanoate CAS Name: 8-cyclopentyloctanoic acid [4-[4-(5-heptyl-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl] 8-cyclopentyloctanoate Traditional Name: 8-cyclopentylcaprylic acid [4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl] ester Formula: C36H48N2O2 MolecularWeight: 540.77852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCCCCCC4CCCC4

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCCCCCC4CCCC4

InChI

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