2-chloranyl-2-[5-(4-nonylphenyl)pyrazin-2-yl]propanoate

Systemtic Name: 2-chloranyl-2-[5-(4-nonylphenyl)pyrazin-2-yl]propanoate Openeye Name: 2-chloro-2-[5-(4-nonylphenyl)pyrazin-2-yl]propanoate CAS Name: 2-chloro-2-[5-(4-nonylphenyl)-2-pyrazinyl]propanoate IUPAC Name: 2-chloro-2-[5-(4-nonylphenyl)pyrazin-2-yl]propanoate Traditional Name: 2-chloro-2-[5-(4-nonylphenyl)pyrazin-2-yl]propionate Formula: C22H28ClN2O2- MolecularWeight: 387.92292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)[O-])Cl

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)[O-])Cl

InChI

InChI=1S/C22H29ClN2O2/c1-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19-15-25-20(16-24-19)22(2,23)21(26)27/h11-16H,3-10H2,1-2H3,(H,26,27)/p-1