3-azanyl-6-chloranyl-2-(3-fluoranyl-4-phenyl-phenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-azanyl-6-chloranyl-2-(3-fluoranyl-4-phenyl-phenyl)quinoline-4-carboxylic acid Openeye Name: 3-amino-6-chloro-2-(3-fluoro-4-phenyl-phenyl)quinoline-4-carboxylic acid CAS Name: 3-amino-6-chloro-2-(3-fluoro-4-phenylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-amino-6-chloro-2-(3-fluoro-4-phenylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-amino-6-chloro-2-(3-fluoro-4-phenyl-phenyl)cinchoninic acid Formula: C22H14ClFN2O2 MolecularWeight: 392.810163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14ClFN2O2/c23-14-7-9-18-16(11-14)19(22(27)28)20(25)21(26-18)13-6-8-15(17(24)10-13)12-4-2-1-3-5-12/h1-11H,25H2,(H,27,28)