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

Systemtic Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] heptanoate Openeye Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] heptanoate CAS Name: heptanoic acid [4-[2-(4-pentylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] heptanoate Traditional Name: enanthic acid [4-[2-(4-amylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O2/c1-3-5-7-9-11-27(31)32-26-18-16-23(17-19-26)25-20-29-28(30-21-25)24-14-12-22(13-15-24)10-8-6-4-2/h12-21H,3-11H2,1-2H3