2-methylbutyl 2-[4-(5-heptylpyrimidin-2-yl)phenyl]propanoate

Systemtic Name: 2-methylbutyl 2-[4-(5-heptylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 2-methylbutyl 2-[4-(5-heptylpyrimidin-2-yl)phenyl]propanoate CAS Name: 2-[4-(5-heptyl-2-pyrimidinyl)phenyl]propanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-[4-(5-heptylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 2-[4-(5-heptylpyrimidin-2-yl)phenyl]propionic acid 2-methylbutyl ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)C(=O)OCC(C)CC

InChI

InChI=1S/C25H36N2O2/c1-5-7-8-9-10-11-21-16-26-24(27-17-21)23-14-12-22(13-15-23)20(4)25(28)29-18-19(3)6-2/h12-17,19-20H,5-11,18H2,1-4H3