3-azanyl-6-iodanyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-azanyl-6-iodanyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid Openeye Name: 3-amino-6-iodo-2-(4-phenylphenyl)quinoline-4-carboxylic acid CAS Name: 3-amino-6-iodo-2-(4-phenylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-amino-6-iodo-2-(4-phenylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-amino-6-iodo-2-(4-phenylphenyl)cinchoninic acid Formula: C22H15IN2O2 MolecularWeight: 466.27117

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)I)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)I)C(=O)O)N

InChI

InChI=1S/C22H15IN2O2/c23-16-10-11-18-17(12-16)19(22(26)27)20(24)21(25-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,24H2,(H,26,27)