[4-(5-octylpyrimidin-2-yl)phenyl] 3-propoxybutanoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-propoxybutanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-propoxybutanoate CAS Name: 3-propoxybutanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-propoxybutanoate Traditional Name: 3-propoxybutyric acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-8-9-10-11-21-18-26-25(27-19-21)22-12-14-23(15-13-22)30-24(28)17-20(3)29-16-5-2/h12-15,18-20H,4-11,16-17H2,1-3H3