1-[4-(5-butoxypyrimidin-2-yl)phenyl]propan-2-yl butanoate

Systemtic Name: 1-[4-(5-butoxypyrimidin-2-yl)phenyl]propan-2-yl butanoate Openeye Name: [2-[4-(5-butoxypyrimidin-2-yl)phenyl]-1-methyl-ethyl] butanoate CAS Name: butanoic acid 1-[4-(5-butoxy-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-butoxypyrimidin-2-yl)phenyl]propan-2-yl butanoate Traditional Name: butyric acid [2-[4-(5-butoxypyrimidin-2-yl)phenyl]-1-methyl-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CCC

Isomeric SMILES

CCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CCC

InChI

InChI=1S/C21H28N2O3/c1-4-6-12-25-19-14-22-21(23-15-19)18-10-8-17(9-11-18)13-16(3)26-20(24)7-5-2/h8-11,14-16H,4-7,12-13H2,1-3H3