[4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenyl] decanoate

Systemtic Name: [4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenyl] decanoate Openeye Name: [4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenyl] decanoate CAS Name: decanoic acid [4-[2-(4-decoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenyl] decanoate Traditional Name: capric acid [4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C36H50N2O3 MolecularWeight: 558.7938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCCCCC

InChI

InChI=1S/C36H50N2O3/c1-3-5-7-9-11-13-15-17-27-40-33-23-21-31(22-24-33)36-37-28-32(29-38-36)30-19-25-34(26-20-30)41-35(39)18-16-14-12-10-8-6-4-2/h19-26,28-29H,3-18,27H2,1-2H3