2-[1-(4-fluorophenyl)cyclopropyl]-3-oxidanyl-8-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-[1-(4-fluorophenyl)cyclopropyl]-3-oxidanyl-8-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-[1-(4-fluorophenyl)cyclopropyl]-3-hydroxy-8-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-[1-(4-fluorophenyl)cyclopropyl]-3-hydroxy-8-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-[1-(4-fluorophenyl)cyclopropyl]-3-hydroxy-8-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-[1-(4-fluorophenyl)cyclopropyl]-3-hydroxy-8-isopropyl-cinchoninic acid Formula: C22H20FNO3 MolecularWeight: 365.397503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C(=C(N=C21)C3(CC3)C4=CC=C(C=C4)F)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC2=C(C(=C(N=C21)C3(CC3)C4=CC=C(C=C4)F)O)C(=O)O

InChI

InChI=1S/C22H20FNO3/c1-12(2)15-4-3-5-16-17(21(26)27)19(25)20(24-18(15)16)22(10-11-22)13-6-8-14(23)9-7-13/h3-9,12,25H,10-11H2,1-2H3,(H,26,27)