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

Systemtic Name: pentyl 2-[4-[2-(4-dodecylphenyl)pyrimidin-5-yl]phenoxy]propanoate Openeye Name: pentyl 2-[4-[2-(4-dodecylphenyl)pyrimidin-5-yl]phenoxy]propanoate CAS Name: 2-[4-[2-(4-dodecylphenyl)-5-pyrimidinyl]phenoxy]propanoic acid pentyl ester IUPAC Name: pentyl 2-[4-[2-(4-dodecylphenyl)pyrimidin-5-yl]phenoxy]propanoate Traditional Name: 2-[4-[2-(4-laurylphenyl)pyrimidin-5-yl]phenoxy]propionic acid amyl ester Formula: C36H50N2O3 MolecularWeight: 558.7938

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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)OCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C36H50N2O3/c1-4-6-8-9-10-11-12-13-14-15-17-30-18-20-32(21-19-30)35-37-27-33(28-38-35)31-22-24-34(25-23-31)41-29(3)36(39)40-26-16-7-5-2/h18-25,27-29H,4-17,26H2,1-3H3