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

Systemtic Name: 6-bromanyl-2-[(3-bromanyl-4-oxidanyl-phenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(3-bromo-4-hydroxy-phenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(3-bromo-4-hydroxyphenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(3-bromo-4-hydroxyphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(3-bromo-4-hydroxy-benzyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C23H15Br2NO4 MolecularWeight: 529.1775

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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)O)Br)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)O)Br)C(=O)O

InChI

InChI=1S/C23H15Br2NO4/c24-15-7-8-16-17(11-15)20(14-4-2-1-3-5-14)21(23(29)30)26(22(16)28)12-13-6-9-19(27)18(25)10-13/h1-11,27H,12H2,(H,29,30)