6-bromanyl-3-oxidanyl-2-[4-(phenylmethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-3-oxidanyl-2-[4-(phenylmethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-(4-benzylphenyl)-6-bromo-3-hydroxy-quinoline-4-carboxylic acid CAS Name: 6-bromo-3-hydroxy-2-[4-(phenylmethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-(4-benzylphenyl)-6-bromo-3-hydroxyquinoline-4-carboxylic acid Traditional Name: 2-(4-benzylphenyl)-6-bromo-3-hydroxy-cinchoninic acid Formula: C23H16BrNO3 MolecularWeight: 434.28204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)Br)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)Br)C(=O)O)O

InChI

InChI=1S/C23H16BrNO3/c24-17-10-11-19-18(13-17)20(23(27)28)22(26)21(25-19)16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13,26H,12H2,(H,27,28)