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

Systemtic Name: 1-[4-[2-(4-undecoxyphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl hexanoate Openeye Name: [1-methyl-2-[4-[2-(4-undecoxyphenyl)pyrimidin-4-yl]phenoxy]ethyl] hexanoate CAS Name: hexanoic acid 1-[4-[2-(4-undecoxyphenyl)-4-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-undecoxyphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl hexanoate Traditional Name: hexanoic acid [1-methyl-2-[4-[2-(4-undecoxyphenyl)pyrimidin-4-yl]phenoxy]ethyl] ester Formula: C36H50N2O4 MolecularWeight: 574.7932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCC

InChI

InChI=1S/C36H50N2O4/c1-4-6-8-9-10-11-12-13-15-27-40-32-23-19-31(20-24-32)36-37-26-25-34(38-36)30-17-21-33(22-18-30)41-28-29(3)42-35(39)16-14-7-5-2/h17-26,29H,4-16,27-28H2,1-3H3