(5-pentoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate

Systemtic Name: (5-pentoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate Openeye Name: (5-pentoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate CAS Name: 3-methylpentanoic acid (5-pentoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-pentoxy-4-phenylpyrimidin-2-yl) 3-methylpentanoate Traditional Name: 3-methylvaleric acid (5-amoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CC(C)CC

Isomeric SMILES

CCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CC(C)CC

InChI

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