1-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-hexoxypropanoate

Systemtic Name: 1-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-hexoxypropanoate Openeye Name: [1-methyl-2-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]ethyl] 2-hexoxypropanoate CAS Name: 2-hexoxypropanoic acid 1-[4-[5-(4-octylphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-hexoxypropanoate Traditional Name: 2-hexoxypropionic acid [1-methyl-2-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]ethyl] ester Formula: C36H50N2O4 MolecularWeight: 574.7932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCCCC

InChI

InChI=1S/C36H50N2O4/c1-5-7-9-11-12-13-15-30-16-18-31(19-17-30)33-25-37-35(38-26-33)32-20-22-34(23-21-32)41-27-28(3)42-36(39)29(4)40-24-14-10-8-6-2/h16-23,25-26,28-29H,5-15,24,27H2,1-4H3