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

Systemtic Name: propan-2-yl 3-[3-oxidanylidene-4-(phenylmethyl)-7-(trifluoromethyl)quinoxalin-2-yl]propanoate Openeye Name: isopropyl 3-[4-benzyl-3-oxo-7-(trifluoromethyl)quinoxalin-2-yl]propanoate CAS Name: 3-[3-oxo-4-(phenylmethyl)-7-(trifluoromethyl)-2-quinoxalinyl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H21F3N2O3 MolecularWeight: 418.40895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N2O3/c1-14(2)30-20(28)11-9-17-21(29)27(13-15-6-4-3-5-7-15)19-10-8-16(22(23,24)25)12-18(19)26-17/h3-8,10,12,14H,9,11,13H2,1-2H3