2-[1-(4-fluorophenyl)cyclopropyl]-6,8-dimethyl-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[1-(4-fluorophenyl)cyclopropyl]-6,8-dimethyl-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 2-[1-(4-fluorophenyl)cyclopropyl]-3-hydroxy-6,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-[1-(4-fluorophenyl)cyclopropyl]-3-hydroxy-6,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-[1-(4-fluorophenyl)cyclopropyl]-3-hydroxy-6,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-[1-(4-fluorophenyl)cyclopropyl]-3-hydroxy-6,8-dimethyl-cinchoninic acid Formula: C21H18FNO3 MolecularWeight: 351.370923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3(CC3)C4=CC=C(C=C4)F)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3(CC3)C4=CC=C(C=C4)F)O)C(=O)O)C

InChI

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