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

Systemtic Name: 2-chloranyl-2-[5-(4-pentylphenyl)pyrazin-2-yl]propanoic acid Openeye Name: 2-chloro-2-[5-(4-pentylphenyl)pyrazin-2-yl]propanoic acid CAS Name: 2-chloro-2-[5-(4-pentylphenyl)-2-pyrazinyl]propanoic acid IUPAC Name: 2-chloro-2-[5-(4-pentylphenyl)pyrazin-2-yl]propanoic acid Traditional Name: 2-[5-(4-amylphenyl)pyrazin-2-yl]-2-chloro-propionic acid Formula: C18H21ClN2O2 MolecularWeight: 332.82454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(C)(C(=O)O)Cl

InChI

InChI=1S/C18H21ClN2O2/c1-3-4-5-6-13-7-9-14(10-8-13)15-11-21-16(12-20-15)18(2,19)17(22)23/h7-12H,3-6H2,1-2H3,(H,22,23)