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

Systemtic Name: 1-[4-(5-butylpyrimidin-2-yl)phenyl]propan-2-yl butanoate Openeye Name: [2-[4-(5-butylpyrimidin-2-yl)phenyl]-1-methyl-ethyl] butanoate CAS Name: butanoic acid 1-[4-(5-butyl-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-butylpyrimidin-2-yl)phenyl]propan-2-yl butanoate Traditional Name: butyric acid [2-[4-(5-butylpyrimidin-2-yl)phenyl]-1-methyl-ethyl] ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-4-6-8-18-14-22-21(23-15-18)19-11-9-17(10-12-19)13-16(3)25-20(24)7-5-2/h9-12,14-16H,4-8,13H2,1-3H3