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

Systemtic Name: (4-phenyl-5-undecoxy-pyrimidin-2-yl) 4-methylhexanoate Openeye Name: (4-phenyl-5-undecoxy-pyrimidin-2-yl) 4-methylhexanoate CAS Name: 4-methylhexanoic acid (4-phenyl-5-undecoxy-2-pyrimidinyl) ester IUPAC Name: (4-phenyl-5-undecoxypyrimidin-2-yl) 4-methylhexanoate Traditional Name: 4-methylhexanoic acid (4-phenyl-5-undecoxy-pyrimidin-2-yl) ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC

InChI

InChI=1S/C28H42N2O3/c1-4-6-7-8-9-10-11-12-16-21-32-25-22-29-28(33-26(31)20-19-23(3)5-2)30-27(25)24-17-14-13-15-18-24/h13-15,17-18,22-23H,4-12,16,19-21H2,1-3H3