2-[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]-6-ethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]-6-ethyl-quinoline-4-carboxylic acid Openeye Name: 2-[5-(3-chloro-4-fluoro-phenyl)-2-furyl]-6-ethyl-quinoline-4-carboxylic acid CAS Name: 2-[5-(3-chloro-4-fluorophenyl)-2-furanyl]-6-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-6-ethylquinoline-4-carboxylic acid Traditional Name: 2-[5-(3-chloro-4-fluoro-phenyl)-2-furyl]-6-ethyl-cinchoninic acid Formula: C22H15ClFNO3 MolecularWeight: 395.810803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H15ClFNO3/c1-2-12-3-6-18-14(9-12)15(22(26)27)11-19(25-18)21-8-7-20(28-21)13-4-5-17(24)16(23)10-13/h3-11H,2H2,1H3,(H,26,27)