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

Systemtic Name: 2-chloranyl-2-[5-(4-dodecylphenyl)pyrazin-2-yl]propanoic acid Openeye Name: 2-chloro-2-[5-(4-dodecylphenyl)pyrazin-2-yl]propanoic acid CAS Name: 2-chloro-2-[5-(4-dodecylphenyl)-2-pyrazinyl]propanoic acid IUPAC Name: 2-chloro-2-[5-(4-dodecylphenyl)pyrazin-2-yl]propanoic acid Traditional Name: 2-chloro-2-[5-(4-laurylphenyl)pyrazin-2-yl]propionic acid Formula: C25H35ClN2O2 MolecularWeight: 431.0106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

InChI

InChI=1S/C25H35ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-13-20-14-16-21(17-15-20)22-18-28-23(19-27-22)25(2,26)24(29)30/h14-19H,3-13H2,1-2H3,(H,29,30)