ethyl 2-[4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenoxy]propanoate

Systemtic Name: ethyl 2-[4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenoxy]propanoate Openeye Name: ethyl 2-[4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenoxy]propanoate CAS Name: 2-[4-[2-(4-heptylphenyl)-5-pyrimidinyl]phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenoxy]propanoate Traditional Name: 2-[4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenoxy]propionic acid ethyl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O3/c1-4-6-7-8-9-10-22-11-13-24(14-12-22)27-29-19-25(20-30-27)23-15-17-26(18-16-23)33-21(3)28(31)32-5-2/h11-21H,4-10H2,1-3H3