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

Systemtic Name: 2-[2-(3-acetamidophenyl)-3-chloranyl-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[2-(3-acetamidophenyl)-3-chloro-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetic acid CAS Name: 2-[2-(3-acetamidophenyl)-3-chloro-6-oxo-5-(phenethylamino)-1-pyrazinyl]acetic acid IUPAC Name: 2-[2-(3-acetamidophenyl)-3-chloro-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[2-(3-acetamidophenyl)-3-chloro-6-keto-5-(phenethylamino)pyrazin-1-yl]acetic acid Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=C(N=C(C(=O)N2CC(=O)O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=C(N=C(C(=O)N2CC(=O)O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H21ClN4O4/c1-14(28)25-17-9-5-8-16(12-17)19-20(23)26-21(22(31)27(19)13-18(29)30)24-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3,(H,24,26)(H,25,28)(H,29,30)