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

Systemtic Name: 2-methylbutyl 3-[4-(5-propylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 2-methylbutyl 3-[4-(5-propylpyrimidin-2-yl)phenyl]propanoate CAS Name: 3-[4-(5-propyl-2-pyrimidinyl)phenyl]propanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 3-[4-(5-propylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 3-[4-(5-propylpyrimidin-2-yl)phenyl]propionic acid 2-methylbutyl ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(=O)OCC(C)CC

Isomeric SMILES

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(=O)OCC(C)CC

InChI

InChI=1S/C21H28N2O2/c1-4-6-18-13-22-21(23-14-18)19-10-7-17(8-11-19)9-12-20(24)25-15-16(3)5-2/h7-8,10-11,13-14,16H,4-6,9,12,15H2,1-3H3