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

Systemtic Name: 1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl 2-ethoxyethanoate Openeye Name: [1-methyl-2-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-ethyl] 2-ethoxyacetate CAS Name: 2-ethoxyacetic acid 1-[[2-(4-octylphenyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid [1-methyl-2-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-ethyl] ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O4/c1-4-6-7-8-9-10-11-21-12-14-22(15-13-21)25-26-16-23(17-27-25)30-18-20(3)31-24(28)19-29-5-2/h12-17,20H,4-11,18-19H2,1-3H3