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

Systemtic Name: (5-dodecoxy-4-phenyl-pyrimidin-2-yl) 2-methylbutanoate Openeye Name: (5-dodecoxy-4-phenyl-pyrimidin-2-yl) 2-methylbutanoate CAS Name: 2-methylbutanoic acid (5-dodecoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-dodecoxy-4-phenylpyrimidin-2-yl) 2-methylbutanoate Traditional Name: 2-methylbutyric acid (5-lauryloxy-4-phenyl-pyrimidin-2-yl) ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-9-10-11-12-13-17-20-31-24-21-28-27(32-26(30)22(3)5-2)29-25(24)23-18-15-14-16-19-23/h14-16,18-19,21-22H,4-13,17,20H2,1-3H3