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

Systemtic Name: phenacyl 3-[3-oxidanylidene-4-(phenylmethyl)-7-(trifluoromethyl)quinoxalin-2-yl]propanoate Openeye Name: phenacyl 3-[4-benzyl-3-oxo-7-(trifluoromethyl)quinoxalin-2-yl]propanoate CAS Name: 3-[3-oxo-4-(phenylmethyl)-7-(trifluoromethyl)-2-quinoxalinyl]propanoic acid phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C27H21F3N2O4 MolecularWeight: 494.46185

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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)C4=CC=CC=C4

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)C4=CC=CC=C4

InChI

InChI=1S/C27H21F3N2O4/c28-27(29,30)20-11-13-23-22(15-20)31-21(26(35)32(23)16-18-7-3-1-4-8-18)12-14-25(34)36-17-24(33)19-9-5-2-6-10-19/h1-11,13,15H,12,14,16-17H2