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

Systemtic Name: 2-[5-chloranyl-2-oxidanylidene-3-(phenethylamino)-6-[3-(trifluoromethyl)phenyl]pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-2-oxo-3-(phenethylamino)-6-[3-(trifluoromethyl)phenyl]pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-2-oxo-3-(phenethylamino)-6-[3-(trifluoromethyl)phenyl]-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-2-oxo-3-(phenethylamino)-6-[3-(trifluoromethyl)phenyl]pyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-2-keto-3-(phenethylamino)-6-[3-(trifluoromethyl)phenyl]pyrazin-1-yl]acetic acid Formula: C21H17ClF3N3O3 MolecularWeight: 451.82619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)O)C3=CC(=CC=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)O)C3=CC(=CC=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H17ClF3N3O3/c22-18-17(14-7-4-8-15(11-14)21(23,24)25)28(12-16(29)30)20(31)19(27-18)26-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,26,27)(H,29,30)