1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl 4-methylhexanoate

Systemtic Name: 1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl 4-methylhexanoate Openeye Name: [1-methyl-2-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-ethyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid 1-[[2-(4-octylphenyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [1-methyl-2-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-ethyl] ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)OC(=O)CCC(C)CC

InChI

InChI=1S/C28H42N2O3/c1-5-7-8-9-10-11-12-24-14-16-25(17-15-24)28-29-19-26(20-30-28)32-21-23(4)33-27(31)18-13-22(3)6-2/h14-17,19-20,22-23H,5-13,18,21H2,1-4H3