2-[5-(4-butylphenyl)pyrazin-2-yl]-2-chloranyl-propanoic acid

Systemtic Name: 2-[5-(4-butylphenyl)pyrazin-2-yl]-2-chloranyl-propanoic acid Openeye Name: 2-[5-(4-butylphenyl)pyrazin-2-yl]-2-chloro-propanoic acid CAS Name: 2-[5-(4-butylphenyl)-2-pyrazinyl]-2-chloropropanoic acid IUPAC Name: 2-[5-(4-butylphenyl)pyrazin-2-yl]-2-chloropropanoic acid Traditional Name: 2-[5-(4-butylphenyl)pyrazin-2-yl]-2-chloro-propionic acid Formula: C17H19ClN2O2 MolecularWeight: 318.79796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

InChI

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