[4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] heptanoate

Systemtic Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] heptanoate Openeye Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] heptanoate CAS Name: heptanoic acid [4-[2-(4-heptylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] heptanoate Traditional Name: enanthic acid [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C30H38N2O2 MolecularWeight: 458.63492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCC

InChI

InChI=1S/C30H38N2O2/c1-3-5-7-9-10-12-24-14-16-26(17-15-24)30-31-22-27(23-32-30)25-18-20-28(21-19-25)34-29(33)13-11-8-6-4-2/h14-23H,3-13H2,1-2H3