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

Systemtic Name: (5-decoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate Openeye Name: (5-decoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate CAS Name: 4-methylhexanoic acid (5-decoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-decoxy-4-phenylpyrimidin-2-yl) 4-methylhexanoate Traditional Name: 4-methylhexanoic acid (5-decoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-9-10-11-15-20-31-24-21-28-27(32-25(30)19-18-22(3)5-2)29-26(24)23-16-13-12-14-17-23/h12-14,16-17,21-22H,4-11,15,18-20H2,1-3H3