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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(C)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(C)C(=O)OCCCCCC

InChI

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