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

Systemtic Name: ethyl 2-[4-[2-(4-dodecylphenyl)pyrimidin-5-yl]phenoxy]propanoate Openeye Name: ethyl 2-[4-[2-(4-dodecylphenyl)pyrimidin-5-yl]phenoxy]propanoate CAS Name: 2-[4-[2-(4-dodecylphenyl)-5-pyrimidinyl]phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(4-dodecylphenyl)pyrimidin-5-yl]phenoxy]propanoate Traditional Name: 2-[4-[2-(4-laurylphenyl)pyrimidin-5-yl]phenoxy]propionic acid ethyl ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(C)C(=O)OCC

InChI

InChI=1S/C33H44N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-27-16-18-29(19-17-27)32-34-24-30(25-35-32)28-20-22-31(23-21-28)38-26(3)33(36)37-5-2/h16-26H,4-15H2,1-3H3