[4-(5-dodecoxypyrimidin-2-yl)phenyl] 2-methylbutanoate

Systemtic Name: [4-(5-dodecoxypyrimidin-2-yl)phenyl] 2-methylbutanoate Openeye Name: [4-(5-dodecoxypyrimidin-2-yl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-(5-dodecoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-dodecoxypyrimidin-2-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-(5-lauryloxypyrimidin-2-yl)phenyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CC

InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-9-10-11-12-13-14-19-31-25-20-28-26(29-21-25)23-15-17-24(18-16-23)32-27(30)22(3)5-2/h15-18,20-22H,4-14,19H2,1-3H3