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

Systemtic Name: (5-dodecoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate Openeye Name: (5-dodecoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate CAS Name: 3-methylpentanoic acid (5-dodecoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-dodecoxy-4-phenylpyrimidin-2-yl) 3-methylpentanoate Traditional Name: 3-methylvaleric acid (5-lauryloxy-4-phenyl-pyrimidin-2-yl) ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CC(C)CC

InChI

InChI=1S/C28H42N2O3/c1-4-6-7-8-9-10-11-12-13-17-20-32-25-22-29-28(33-26(31)21-23(3)5-2)30-27(25)24-18-15-14-16-19-24/h14-16,18-19,22-23H,4-13,17,20-21H2,1-3H3