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

Systemtic Name: (4-phenyl-5-undecoxy-pyrimidin-2-yl) 2-methylbutanoate Openeye Name: (4-phenyl-5-undecoxy-pyrimidin-2-yl) 2-methylbutanoate CAS Name: 2-methylbutanoic acid (4-phenyl-5-undecoxy-2-pyrimidinyl) ester IUPAC Name: (4-phenyl-5-undecoxypyrimidin-2-yl) 2-methylbutanoate Traditional Name: 2-methylbutyric acid (4-phenyl-5-undecoxy-pyrimidin-2-yl) ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O3/c1-4-6-7-8-9-10-11-12-16-19-30-23-20-27-26(31-25(29)21(3)5-2)28-24(23)22-17-14-13-15-18-22/h13-15,17-18,20-21H,4-12,16,19H2,1-3H3