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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-chloranylpropanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-chloropropanoate CAS Name: 2-chloropropanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-chloropropanoate Traditional Name: 2-chloropropionic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)Cl

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)Cl

InChI

InChI=1S/C21H27ClN2O2/c1-3-4-5-6-7-8-9-17-14-23-20(24-15-17)18-10-12-19(13-11-18)26-21(25)16(2)22/h10-16H,3-9H2,1-2H3