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

Systemtic Name: 2-chloranyl-2-[5-(4-octylphenyl)pyrazin-2-yl]propanoic acid Openeye Name: 2-chloro-2-[5-(4-octylphenyl)pyrazin-2-yl]propanoic acid CAS Name: 2-chloro-2-[5-(4-octylphenyl)-2-pyrazinyl]propanoic acid IUPAC Name: 2-chloro-2-[5-(4-octylphenyl)pyrazin-2-yl]propanoic acid Traditional Name: 2-chloro-2-[5-(4-octylphenyl)pyrazin-2-yl]propionic acid Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

InChI

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