(2-pyrimidin-5-ylphenyl) 2-(4-heptylphenyl)ethanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)CC(=O)OC2=CC=CC=C2C3=CN=CN=C3

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)CC(=O)OC2=CC=CC=C2C3=CN=CN=C3

InChI

InChI=1S/C25H28N2O2/c1-2-3-4-5-6-9-20-12-14-21(15-13-20)16-25(28)29-24-11-8-7-10-23(24)22-17-26-19-27-18-22/h7-8,10-15,17-19H,2-6,9,16H2,1H3