4-(5-dodecoxypyrimidin-2-yl)benzoate

Systemtic Name: 4-(5-dodecoxypyrimidin-2-yl)benzoate Openeye Name: 4-(5-dodecoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-dodecoxy-2-pyrimidinyl)benzoate IUPAC Name: 4-(5-dodecoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-lauryloxypyrimidin-2-yl)benzoate Formula: C23H31N2O3- MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C23H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-16-28-21-17-24-22(25-18-21)19-12-14-20(15-13-19)23(26)27/h12-15,17-18H,2-11,16H2,1H3,(H,26,27)/p-1