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

Systemtic Name: 2-[[2,6-bis(fluoranyl)phenyl]methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(2,6-difluorophenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(2,6-difluorophenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(2,6-difluorophenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(2,6-difluorobenzyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C23H14BrF2NO3 MolecularWeight: 470.262966

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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=C(C=CC=C4F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=C(C=CC=C4F)F)C(=O)O

InChI

InChI=1S/C23H14BrF2NO3/c24-14-9-10-15-16(11-14)20(13-5-2-1-3-6-13)21(23(29)30)27(22(15)28)12-17-18(25)7-4-8-19(17)26/h1-11H,12H2,(H,29,30)