2-methylbutyl 3-[4-(5-pentylpyrimidin-2-yl)phenyl]propanoate

Systemtic Name: 2-methylbutyl 3-[4-(5-pentylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 2-methylbutyl 3-[4-(5-pentylpyrimidin-2-yl)phenyl]propanoate CAS Name: 3-[4-(5-pentyl-2-pyrimidinyl)phenyl]propanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 3-[4-(5-pentylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 3-[4-(5-amylpyrimidin-2-yl)phenyl]propionic acid 2-methylbutyl ester Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(=O)OCC(C)CC

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(=O)OCC(C)CC

InChI

InChI=1S/C23H32N2O2/c1-4-6-7-8-20-15-24-23(25-16-20)21-12-9-19(10-13-21)11-14-22(26)27-17-18(3)5-2/h9-10,12-13,15-16,18H,4-8,11,14,17H2,1-3H3