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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-[3-oxidanylidene-4-(phenylmethyl)-7-(trifluoromethyl)quinoxalin-2-yl]propanoate Openeye Name: (2-amino-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-amino-2-oxoethyl) ester IUPAC Name: (2-amino-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-amino-2-keto-ethyl) ester Formula: C21H18F3N3O4 MolecularWeight: 433.38053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C(C2=O)CCC(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C(C2=O)CCC(=O)OCC(=O)N

InChI

InChI=1S/C21H18F3N3O4/c22-21(23,24)14-6-8-17-16(10-14)26-15(7-9-19(29)31-12-18(25)28)20(30)27(17)11-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2,(H2,25,28)