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

Systemtic Name: 2-chloranyl-2-[5-(4-heptylphenyl)pyrazin-2-yl]propanoic acid Openeye Name: 2-chloro-2-[5-(4-heptylphenyl)pyrazin-2-yl]propanoic acid CAS Name: 2-chloro-2-[5-(4-heptylphenyl)-2-pyrazinyl]propanoic acid IUPAC Name: 2-chloro-2-[5-(4-heptylphenyl)pyrazin-2-yl]propanoic acid Traditional Name: 2-chloro-2-[5-(4-heptylphenyl)pyrazin-2-yl]propionic acid Formula: C20H25ClN2O2 MolecularWeight: 360.8777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

InChI

InChI=1S/C20H25ClN2O2/c1-3-4-5-6-7-8-15-9-11-16(12-10-15)17-13-23-18(14-22-17)20(2,21)19(24)25/h9-14H,3-8H2,1-2H3,(H,24,25)