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

Systemtic Name: 2-phenoxyethyl 3-[3-oxidanylidene-4-(phenylmethyl)-7-(trifluoromethyl)quinoxalin-2-yl]propanoate Openeye Name: 2-phenoxyethyl 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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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-phenoxyethyl ester Formula: C27H23F3N2O4 MolecularWeight: 496.47773

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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)OCCOC4=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)OCCOC4=CC=CC=C4

InChI

InChI=1S/C27H23F3N2O4/c28-27(29,30)20-11-13-24-23(17-20)31-22(26(34)32(24)18-19-7-3-1-4-8-19)12-14-25(33)36-16-15-35-21-9-5-2-6-10-21/h1-11,13,17H,12,14-16,18H2