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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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