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

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-propoxybutanoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-propoxybutanoate CAS Name: 3-propoxybutanoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-propoxybutanoate Traditional Name: 3-propoxybutyric acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C)OCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C)OCCC

InChI

InChI=1S/C26H38N2O3/c1-4-6-7-8-9-10-11-12-22-19-27-26(28-20-22)23-13-15-24(16-14-23)31-25(29)18-21(3)30-17-5-2/h13-16,19-21H,4-12,17-18H2,1-3H3