6-bromanyl-1-oxidanylidene-4-phenyl-2-[[4-(trifluoromethyloxy)phenyl]methyl]isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-[[4-(trifluoromethyloxy)phenyl]methyl]isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-4-phenyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-[4-(trifluoromethoxy)benzyl]isoquinoline-3-carboxylic acid Formula: C24H15BrF3NO4 MolecularWeight: 518.27941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)OC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C24H15BrF3NO4/c25-16-8-11-18-19(12-16)20(15-4-2-1-3-5-15)21(23(31)32)29(22(18)30)13-14-6-9-17(10-7-14)33-24(26,27)28/h1-12H,13H2,(H,31,32)