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

Systemtic Name: (4-phenyl-5-undecoxy-pyrimidin-2-yl) 3-methylpentanoate Openeye Name: (4-phenyl-5-undecoxy-pyrimidin-2-yl) 3-methylpentanoate CAS Name: 3-methylpentanoic acid (4-phenyl-5-undecoxy-2-pyrimidinyl) ester IUPAC Name: (4-phenyl-5-undecoxypyrimidin-2-yl) 3-methylpentanoate Traditional Name: 3-methylvaleric acid (4-phenyl-5-undecoxy-pyrimidin-2-yl) ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-9-10-11-12-16-19-31-24-21-28-27(32-25(30)20-22(3)5-2)29-26(24)23-17-14-13-15-18-23/h13-15,17-18,21-22H,4-12,16,19-20H2,1-3H3