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

Systemtic Name: 2-[3-chloranyl-2-(3-methoxyphenyl)-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-chloro-2-(3-methoxyphenyl)-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetic acid CAS Name: 2-[3-chloro-2-(3-methoxyphenyl)-6-oxo-5-(phenethylamino)-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-chloro-2-(3-methoxyphenyl)-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-2-keto-6-(3-methoxyphenyl)-3-(phenethylamino)pyrazin-1-yl]acetic acid Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(N=C(C(=O)N2CC(=O)O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(N=C(C(=O)N2CC(=O)O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O4/c1-29-16-9-5-8-15(12-16)18-19(22)24-20(21(28)25(18)13-17(26)27)23-11-10-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,23,24)(H,26,27)