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

Systemtic Name: 2-[3-chloranyl-2-(3-methylphenyl)-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-chloro-2-(m-tolyl)-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetic acid CAS Name: 2-[3-chloro-2-(3-methylphenyl)-6-oxo-5-(phenethylamino)-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-chloro-2-(3-methylphenyl)-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-2-keto-6-(m-tolyl)-3-(phenethylamino)pyrazin-1-yl]acetic acid Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(N=C(C(=O)N2CC(=O)O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N=C(C(=O)N2CC(=O)O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-14-6-5-9-16(12-14)18-19(22)24-20(21(28)25(18)13-17(26)27)23-11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,23,24)(H,26,27)