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

Systemtic Name: 2-chloranyl-2-[5-(4-undecylphenyl)pyrazin-2-yl]propanoic acid Openeye Name: 2-chloro-2-[5-(4-undecylphenyl)pyrazin-2-yl]propanoic acid CAS Name: 2-chloro-2-[5-(4-undecylphenyl)-2-pyrazinyl]propanoic acid IUPAC Name: 2-chloro-2-[5-(4-undecylphenyl)pyrazin-2-yl]propanoic acid Traditional Name: 2-chloro-2-[5-(4-undecylphenyl)pyrazin-2-yl]propionic acid Formula: C24H33ClN2O2 MolecularWeight: 416.98402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

InChI

InChI=1S/C24H33ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21-17-27-22(18-26-21)24(2,25)23(28)29/h13-18H,3-12H2,1-2H3,(H,28,29)