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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-chloranylpropanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-chloropropanoate CAS Name: 2-chloropropanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-chloropropanoate Traditional Name: 2-chloropropionic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C18H21ClN2O2 MolecularWeight: 332.82454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)Cl

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)Cl

InChI

InChI=1S/C18H21ClN2O2/c1-3-4-5-6-14-11-20-17(21-12-14)15-7-9-16(10-8-15)23-18(22)13(2)19/h7-13H,3-6H2,1-2H3