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

Systemtic Name: 2-chloranyl-2-[5-(4-hexylphenyl)pyrazin-2-yl]propanoic acid Openeye Name: 2-chloro-2-[5-(4-hexylphenyl)pyrazin-2-yl]propanoic acid CAS Name: 2-chloro-2-[5-(4-hexylphenyl)-2-pyrazinyl]propanoic acid IUPAC Name: 2-chloro-2-[5-(4-hexylphenyl)pyrazin-2-yl]propanoic acid Traditional Name: 2-chloro-2-[5-(4-hexylphenyl)pyrazin-2-yl]propionic acid Formula: C19H23ClN2O2 MolecularWeight: 346.85112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

InChI

InChI=1S/C19H23ClN2O2/c1-3-4-5-6-7-14-8-10-15(11-9-14)16-12-22-17(13-21-16)19(2,20)18(23)24/h8-13H,3-7H2,1-2H3,(H,23,24)