(5-butoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate

Systemtic Name: (5-butoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate Openeye Name: (5-butoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate CAS Name: 4-methylhexanoic acid (5-butoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-butoxy-4-phenylpyrimidin-2-yl) 4-methylhexanoate Traditional Name: 4-methylhexanoic acid (5-butoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC

InChI

InChI=1S/C21H28N2O3/c1-4-6-14-25-18-15-22-21(26-19(24)13-12-16(3)5-2)23-20(18)17-10-8-7-9-11-17/h7-11,15-16H,4-6,12-14H2,1-3H3