6-ethyl-2-[1-(4-fluorophenyl)cyclopropyl]-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 6-ethyl-2-[1-(4-fluorophenyl)cyclopropyl]-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 6-ethyl-2-[1-(4-fluorophenyl)cyclopropyl]-3-hydroxy-quinoline-4-carboxylic acid CAS Name: 6-ethyl-2-[1-(4-fluorophenyl)cyclopropyl]-3-hydroxy-4-quinolinecarboxylic acid IUPAC Name: 6-ethyl-2-[1-(4-fluorophenyl)cyclopropyl]-3-hydroxyquinoline-4-carboxylic acid Traditional Name: 6-ethyl-2-[1-(4-fluorophenyl)cyclopropyl]-3-hydroxy-cinchoninic acid Formula: C21H18FNO3 MolecularWeight: 351.370923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C(N=C2C=C1)C3(CC3)C4=CC=C(C=C4)F)O)C(=O)O

Isomeric SMILES

CCC1=CC2=C(C(=C(N=C2C=C1)C3(CC3)C4=CC=C(C=C4)F)O)C(=O)O

InChI

InChI=1S/C21H18FNO3/c1-2-12-3-8-16-15(11-12)17(20(25)26)18(24)19(23-16)21(9-10-21)13-4-6-14(22)7-5-13/h3-8,11,24H,2,9-10H2,1H3,(H,25,26)