6-[[2-[4-(trifluoromethyl)phenyl]phenyl]carbonylamino]-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-[[2-[4-(trifluoromethyl)phenyl]phenyl]carbonylamino]-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-isoquinoline-2-carboxylic acid CAS Name: 6-[[oxo-[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-isoquinoline-2-carboxylic acid Formula: C24H17F3N2O3 MolecularWeight: 438.39859

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CN1C(=O)O)C=C(C=C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1C2=C(C=CN1C(=O)O)C=C(C=C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C24H17F3N2O3/c25-24(26,27)18-8-5-15(6-9-18)20-3-1-2-4-21(20)22(30)28-19-10-7-17-14-29(23(31)32)12-11-16(17)13-19/h1-13H,14H2,(H,28,30)(H,31,32)