3-(2,4-dichlorophenyl)-2-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(2,4-dichlorophenyl)-2-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(2,4-dichlorophenyl)-2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(2,4-dichlorophenyl)-2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(2,4-dichlorophenyl)-2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(2,4-dichlorophenyl)-2-[2-fluoro-3-(trifluoromethyl)benzyl]-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C24H15Cl2F4NO3 MolecularWeight: 512.280413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(N(C2=O)CC3=C(C(=CC=C3)C(F)(F)F)F)C4=C(C=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(N(C2=O)CC3=C(C(=CC=C3)C(F)(F)F)F)C4=C(C=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C24H15Cl2F4NO3/c25-13-8-9-16(18(26)10-13)21-19(23(33)34)14-5-1-2-6-15(14)22(32)31(21)11-12-4-3-7-17(20(12)27)24(28,29)30/h1-10,19,21H,11H2,(H,33,34)