2-[5-chloranyl-3-(6-oxidanylhexylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-3-(6-oxidanylhexylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-3-(6-hydroxyhexylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-3-(6-hydroxyhexylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-3-(6-hydroxyhexylamino)-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-(6-hydroxyhexylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C18H22ClN3O4 MolecularWeight: 379.83798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(C(=O)N2CC(=O)O)NCCCCCCO)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(C(=O)N2CC(=O)O)NCCCCCCO)Cl

InChI

InChI=1S/C18H22ClN3O4/c19-16-15(13-8-4-3-5-9-13)22(12-14(24)25)18(26)17(21-16)20-10-6-1-2-7-11-23/h3-5,8-9,23H,1-2,6-7,10-12H2,(H,20,21)(H,24,25)