3-azanyl-6-chloranyl-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)F)C3=C(C(=C4C=C(C=CC4=N3)Cl)C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)F)C3=C(C(=C4C=C(C=CC4=N3)Cl)C(=O)O)N

InChI

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