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

Systemtic Name: 2-chloranyl-2-[5-(4-decylphenyl)pyrazin-2-yl]propanoic acid Openeye Name: 2-chloro-2-[5-(4-decylphenyl)pyrazin-2-yl]propanoic acid CAS Name: 2-chloro-2-[5-(4-decylphenyl)-2-pyrazinyl]propanoic acid IUPAC Name: 2-chloro-2-[5-(4-decylphenyl)pyrazin-2-yl]propanoic acid Traditional Name: 2-chloro-2-[5-(4-decylphenyl)pyrazin-2-yl]propionic acid Formula: C23H31ClN2O2 MolecularWeight: 402.95744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

InChI

InChI=1S/C23H31ClN2O2/c1-3-4-5-6-7-8-9-10-11-18-12-14-19(15-13-18)20-16-26-21(17-25-20)23(2,24)22(27)28/h12-17H,3-11H2,1-2H3,(H,27,28)