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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-propoxybutanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-propoxybutanoate CAS Name: 3-propoxybutanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-propoxybutanoate Traditional Name: 3-propoxybutyric acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C)OCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C)OCCC

InChI

InChI=1S/C24H34N2O3/c1-4-6-7-8-9-10-20-17-25-24(26-18-20)21-11-13-22(14-12-21)29-23(27)16-19(3)28-15-5-2/h11-14,17-19H,4-10,15-16H2,1-3H3