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

Systemtic Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] ethanoate Openeye Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] acetate CAS Name: acetic acid [4-[2-(4-heptylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] acetate Traditional Name: acetic acid [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O2/c1-3-4-5-6-7-8-20-9-11-22(12-10-20)25-26-17-23(18-27-25)21-13-15-24(16-14-21)29-19(2)28/h9-18H,3-8H2,1-2H3