hexyl 2-[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenoxy]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(C)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(C)C(=O)OCCCCCC

InChI

InChI=1S/C33H44N2O3/c1-4-6-8-10-11-12-14-27-15-17-29(18-16-27)32-34-24-30(25-35-32)28-19-21-31(22-20-28)38-26(3)33(36)37-23-13-9-7-5-2/h15-22,24-26H,4-14,23H2,1-3H3