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

Systemtic Name: 2-methylbutyl 3-[4-(5-butylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 2-methylbutyl 3-[4-(5-butylpyrimidin-2-yl)phenyl]propanoate CAS Name: 3-[4-(5-butyl-2-pyrimidinyl)phenyl]propanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 3-[4-(5-butylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 3-[4-(5-butylpyrimidin-2-yl)phenyl]propionic acid 2-methylbutyl ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(=O)OCC(C)CC

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(=O)OCC(C)CC

InChI

InChI=1S/C22H30N2O2/c1-4-6-7-19-14-23-22(24-15-19)20-11-8-18(9-12-20)10-13-21(25)26-16-17(3)5-2/h8-9,11-12,14-15,17H,4-7,10,13,16H2,1-3H3