3-azanyl-6-fluoranyl-2-[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 3-azanyl-6-fluoranyl-2-[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 3-amino-6-fluoro-2-[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]quinoline-4-carboxylic acid CAS Name: 3-amino-6-fluoro-2-[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 3-amino-6-fluoro-2-[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 3-amino-6-fluoro-2-[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]cinchoninic acid Formula: C25H25FN2O3 MolecularWeight: 420.476003

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Descriptors Computed from Structure

Canonical SMILES:

COC12CCC(CC1)(CC2)C3=CC=C(C=C3)C4=C(C(=C5C=C(C=CC5=N4)F)C(=O)O)N

Isomeric SMILES

COC12CCC(CC1)(CC2)C3=CC=C(C=C3)C4=C(C(=C5C=C(C=CC5=N4)F)C(=O)O)N

InChI

InChI=1S/C25H25FN2O3/c1-31-25-11-8-24(9-12-25,10-13-25)16-4-2-15(3-5-16)22-21(27)20(23(29)30)18-14-17(26)6-7-19(18)28-22/h2-7,14H,8-13,27H2,1H3,(H,29,30)