2-[4-(5-butylpyrimidin-2-yl)phenyl]-2-chloranyl-propanoate

Systemtic Name: 2-[4-(5-butylpyrimidin-2-yl)phenyl]-2-chloranyl-propanoate Openeye Name: 2-[4-(5-butylpyrimidin-2-yl)phenyl]-2-chloro-propanoate CAS Name: 2-[4-(5-butyl-2-pyrimidinyl)phenyl]-2-chloropropanoate IUPAC Name: 2-[4-(5-butylpyrimidin-2-yl)phenyl]-2-chloropropanoate Traditional Name: 2-[4-(5-butylpyrimidin-2-yl)phenyl]-2-chloro-propionate Formula: C17H18ClN2O2- MolecularWeight: 317.79002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)(C(=O)[O-])Cl

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)(C(=O)[O-])Cl

InChI

InChI=1S/C17H19ClN2O2/c1-3-4-5-12-10-19-15(20-11-12)13-6-8-14(9-7-13)17(2,18)16(21)22/h6-11H,3-5H2,1-2H3,(H,21,22)/p-1