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

Systemtic Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] butanoate Openeye Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] butanoate CAS Name: butanoic acid [4-[2-(4-pentylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] butanoate Traditional Name: butyric acid [4-[2-(4-amylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC

InChI

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