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

Systemtic Name: 2-methylbutyl 2-[4-(5-decylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 2-methylbutyl 2-[4-(5-decylpyrimidin-2-yl)phenyl]propanoate CAS Name: 2-[4-(5-decyl-2-pyrimidinyl)phenyl]propanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-[4-(5-decylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 2-[4-(5-decylpyrimidin-2-yl)phenyl]propionic acid 2-methylbutyl ester Formula: C28H42N2O2 MolecularWeight: 438.64528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)C(=O)OCC(C)CC

InChI

InChI=1S/C28H42N2O2/c1-5-7-8-9-10-11-12-13-14-24-19-29-27(30-20-24)26-17-15-25(16-18-26)23(4)28(31)32-21-22(3)6-2/h15-20,22-23H,5-14,21H2,1-4H3