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

Systemtic Name: (5-nonoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate Openeye Name: (5-nonoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate CAS Name: 4-methylhexanoic acid (5-nonoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-nonoxy-4-phenylpyrimidin-2-yl) 4-methylhexanoate Traditional Name: 4-methylhexanoic acid (5-nonoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC

InChI

InChI=1S/C26H38N2O3/c1-4-6-7-8-9-10-14-19-30-23-20-27-26(31-24(29)18-17-21(3)5-2)28-25(23)22-15-12-11-13-16-22/h11-13,15-16,20-21H,4-10,14,17-19H2,1-3H3