2-[[3,5-bis(fluoranyl)phenyl]methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[[3,5-bis(fluoranyl)phenyl]methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(3,5-difluorophenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(3,5-difluorophenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(3,5-difluorophenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(3,5-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=CC(=CC(=C4)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(=CC(=C4)F)F)C(=O)O

InChI

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