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

Systemtic Name: ethyl 3-[3-oxidanylidene-4-(phenylmethyl)-7-(trifluoromethyl)quinoxalin-2-yl]propanoate Openeye Name: 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H19F3N2O3 MolecularWeight: 404.38237

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O3/c1-2-29-19(27)11-9-16-20(28)26(13-14-6-4-3-5-7-14)18-10-8-15(21(22,23)24)12-17(18)25-16/h3-8,10,12H,2,9,11,13H2,1H3