1-[2-[4-(4-octoxyphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl butanoate

Systemtic Name: 1-[2-[4-(4-octoxyphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl butanoate Openeye Name: [1-methyl-2-[2-[4-(4-octoxyphenyl)phenyl]pyrimidin-5-yl]oxy-ethyl] butanoate CAS Name: butanoic acid 1-[[2-[4-(4-octoxyphenyl)phenyl]-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-[4-(4-octoxyphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl butanoate Traditional Name: butyric acid [1-methyl-2-[2-[4-(4-octoxyphenyl)phenyl]pyrimidin-5-yl]oxy-ethyl] ester Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCC

InChI

InChI=1S/C31H40N2O4/c1-4-6-7-8-9-10-20-35-28-18-16-26(17-19-28)25-12-14-27(15-13-25)31-32-21-29(22-33-31)36-23-24(3)37-30(34)11-5-2/h12-19,21-22,24H,4-11,20,23H2,1-3H3