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

Systemtic Name: (5-nonoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate Openeye Name: (5-nonoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate CAS Name: 3-methylpentanoic acid (5-nonoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-nonoxy-4-phenylpyrimidin-2-yl) 3-methylpentanoate Traditional Name: 3-methylvaleric acid (5-nonoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-8-9-10-14-17-29-22-19-26-25(30-23(28)18-20(3)5-2)27-24(22)21-15-12-11-13-16-21/h11-13,15-16,19-20H,4-10,14,17-18H2,1-3H3