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

Systemtic Name: hexyl 2-[4-[2-(4-dodecylphenyl)pyrimidin-5-yl]phenoxy]propanoate Openeye Name: hexyl 2-[4-[2-(4-dodecylphenyl)pyrimidin-5-yl]phenoxy]propanoate CAS Name: 2-[4-[2-(4-dodecylphenyl)-5-pyrimidinyl]phenoxy]propanoic acid hexyl ester IUPAC Name: hexyl 2-[4-[2-(4-dodecylphenyl)pyrimidin-5-yl]phenoxy]propanoate Traditional Name: 2-[4-[2-(4-laurylphenyl)pyrimidin-5-yl]phenoxy]propionic acid hexyl ester Formula: C37H52N2O3 MolecularWeight: 572.82038

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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)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C37H52N2O3/c1-4-6-8-10-11-12-13-14-15-16-18-31-19-21-33(22-20-31)36-38-28-34(29-39-36)32-23-25-35(26-24-32)42-30(3)37(40)41-27-17-9-7-5-2/h19-26,28-30H,4-18,27H2,1-3H3