1-[4-[2-(4-undecylphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl hexanoate

Systemtic Name: 1-[4-[2-(4-undecylphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl hexanoate Openeye Name: [1-methyl-2-[4-[2-(4-undecylphenyl)pyrimidin-4-yl]phenoxy]ethyl] hexanoate CAS Name: hexanoic acid 1-[4-[2-(4-undecylphenyl)-4-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-undecylphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl hexanoate Traditional Name: hexanoic acid [1-methyl-2-[4-[2-(4-undecylphenyl)pyrimidin-4-yl]phenoxy]ethyl] ester Formula: C36H50N2O3 MolecularWeight: 558.7938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCC

InChI

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