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

Systemtic Name: 2-methylbutyl 2-[4-(5-octylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 2-methylbutyl 2-[4-(5-octylpyrimidin-2-yl)phenyl]propanoate CAS Name: 2-[4-(5-octyl-2-pyrimidinyl)phenyl]propanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-[4-(5-octylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 2-[4-(5-octylpyrimidin-2-yl)phenyl]propionic acid 2-methylbutyl ester Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)C(=O)OCC(C)CC

InChI

InChI=1S/C26H38N2O2/c1-5-7-8-9-10-11-12-22-17-27-25(28-18-22)24-15-13-23(14-16-24)21(4)26(29)30-19-20(3)6-2/h13-18,20-21H,5-12,19H2,1-4H3