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

Systemtic Name: 2-oxidanylidenepropyl 3-[3-oxidanylidene-4-(phenylmethyl)-7-(trifluoromethyl)quinoxalin-2-yl]propanoate Openeye Name: acetonyl 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-oxopropyl ester IUPAC Name: 2-oxopropyl 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 acetonyl ester Formula: C22H19F3N2O4 MolecularWeight: 432.39247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19F3N2O4/c1-14(28)13-31-20(29)10-8-17-21(30)27(12-15-5-3-2-4-6-15)19-9-7-16(22(23,24)25)11-18(19)26-17/h2-7,9,11H,8,10,12-13H2,1H3