[4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] octanoate

Systemtic Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] octanoate Openeye Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] octanoate CAS Name: octanoic acid [4-[2-(4-pentylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] octanoate Traditional Name: caprylic acid [4-[2-(4-amylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C29H36N2O2/c1-3-5-7-8-10-12-28(32)33-27-19-17-24(18-20-27)26-21-30-29(31-22-26)25-15-13-23(14-16-25)11-9-6-4-2/h13-22H,3-12H2,1-2H3