1-[4-(5-octylpyrimidin-2-yl)phenyl]propan-2-yl butanoate

Systemtic Name: 1-[4-(5-octylpyrimidin-2-yl)phenyl]propan-2-yl butanoate Openeye Name: [1-methyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]ethyl] butanoate CAS Name: butanoic acid 1-[4-(5-octyl-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-octylpyrimidin-2-yl)phenyl]propan-2-yl butanoate Traditional Name: butyric acid [1-methyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]ethyl] ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CCC

InChI

InChI=1S/C25H36N2O2/c1-4-6-7-8-9-10-12-22-18-26-25(27-19-22)23-15-13-21(14-16-23)17-20(3)29-24(28)11-5-2/h13-16,18-20H,4-12,17H2,1-3H3