[4-(5-dodecylpyrimidin-2-yl)phenyl] 2-chloranylpropanoate

Systemtic Name: [4-(5-dodecylpyrimidin-2-yl)phenyl] 2-chloranylpropanoate Openeye Name: [4-(5-dodecylpyrimidin-2-yl)phenyl] 2-chloropropanoate CAS Name: 2-chloropropanoic acid [4-(5-dodecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-dodecylpyrimidin-2-yl)phenyl] 2-chloropropanoate Traditional Name: 2-chloropropionic acid [4-(5-laurylpyrimidin-2-yl)phenyl] ester Formula: C25H35ClN2O2 MolecularWeight: 431.0106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)Cl

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)Cl

InChI

InChI=1S/C25H35ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-13-21-18-27-24(28-19-21)22-14-16-23(17-15-22)30-25(29)20(2)26/h14-20H,3-13H2,1-2H3