3-[3-methyl-2-oxidanylidene-7-[3-(trifluoromethyl)phenyl]quinoxalin-1-yl]propanoic acid

Systemtic Name: 3-[3-methyl-2-oxidanylidene-7-[3-(trifluoromethyl)phenyl]quinoxalin-1-yl]propanoic acid Openeye Name: 3-[3-methyl-2-oxo-7-[3-(trifluoromethyl)phenyl]quinoxalin-1-yl]propanoic acid CAS Name: 3-[3-methyl-2-oxo-7-[3-(trifluoromethyl)phenyl]-1-quinoxalinyl]propanoic acid IUPAC Name: 3-[3-methyl-2-oxo-7-[3-(trifluoromethyl)phenyl]quinoxalin-1-yl]propanoic acid Traditional Name: 3-[2-keto-3-methyl-7-[3-(trifluoromethyl)phenyl]quinoxalin-1-yl]propionic acid Formula: C19H15F3N2O3 MolecularWeight: 376.32921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C3=CC(=CC=C3)C(F)(F)F)N(C1=O)CCC(=O)O

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C3=CC(=CC=C3)C(F)(F)F)N(C1=O)CCC(=O)O

InChI

InChI=1S/C19H15F3N2O3/c1-11-18(27)24(8-7-17(25)26)16-10-13(5-6-15(16)23-11)12-3-2-4-14(9-12)19(20,21)22/h2-6,9-10H,7-8H2,1H3,(H,25,26)