1-[4-[2-(4-undecoxyphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-propoxypropanoate

Systemtic Name: 1-[4-[2-(4-undecoxyphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-propoxypropanoate Openeye Name: [1-methyl-2-[4-[2-(4-undecoxyphenyl)pyrimidin-5-yl]phenoxy]ethyl] 2-propoxypropanoate CAS Name: 2-propoxypropanoic acid 1-[4-[2-(4-undecoxyphenyl)-5-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-undecoxyphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-propoxypropanoate Traditional Name: 2-propoxypropionic acid [1-methyl-2-[4-[2-(4-undecoxyphenyl)pyrimidin-5-yl]phenoxy]ethyl] ester Formula: C36H50N2O5 MolecularWeight: 590.7926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H50N2O5/c1-5-7-8-9-10-11-12-13-14-24-41-33-21-17-31(18-22-33)35-37-25-32(26-38-35)30-15-19-34(20-16-30)42-27-28(3)43-36(39)29(4)40-23-6-2/h15-22,25-26,28-29H,5-14,23-24,27H2,1-4H3