(2-methoxy-2-oxidanylidene-ethyl) 3-[3-oxidanylidene-4-(phenylmethyl)-7-(trifluoromethyl)quinoxalin-2-yl]propanoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 3-[3-oxidanylidene-4-(phenylmethyl)-7-(trifluoromethyl)quinoxalin-2-yl]propanoate Openeye Name: (2-methoxy-2-oxo-ethyl) 3-[4-benzyl-3-oxo-7-(trifluoromethyl)quinoxalin-2-yl]propanoate CAS Name: 3-[3-oxo-4-(phenylmethyl)-7-(trifluoromethyl)-2-quinoxalinyl]propanoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 3-[4-benzyl-3-oxo-7-(trifluoromethyl)quinoxalin-2-yl]propanoate Traditional Name: 3-[4-benzyl-3-keto-7-(trifluoromethyl)quinoxalin-2-yl]propionic acid (2-keto-2-methoxy-ethyl) ester Formula: C22H19F3N2O5 MolecularWeight: 448.39187

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)CCC1=NC2=C(C=CC(=C2)C(F)(F)F)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)COC(=O)CCC1=NC2=C(C=CC(=C2)C(F)(F)F)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H19F3N2O5/c1-31-20(29)13-32-19(28)10-8-16-21(30)27(12-14-5-3-2-4-6-14)18-9-7-15(22(23,24)25)11-17(18)26-16/h2-7,9,11H,8,10,12-13H2,1H3