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

Systemtic Name: (5-decoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate Openeye Name: (5-decoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate CAS Name: 3-methylpentanoic acid (5-decoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-decoxy-4-phenylpyrimidin-2-yl) 3-methylpentanoate Traditional Name: 3-methylvaleric acid (5-decoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CC(C)CC

InChI

InChI=1S/C26H38N2O3/c1-4-6-7-8-9-10-11-15-18-30-23-20-27-26(31-24(29)19-21(3)5-2)28-25(23)22-16-13-12-14-17-22/h12-14,16-17,20-21H,4-11,15,18-19H2,1-3H3