8-ethyl-3-oxidanyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinoline-4-carboxylic acid

Systemtic Name: 8-ethyl-3-oxidanyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinoline-4-carboxylic acid Openeye Name: 8-ethyl-3-hydroxy-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinoline-4-carboxylic acid CAS Name: 8-ethyl-3-hydroxy-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-4-quinolinecarboxylic acid IUPAC Name: 8-ethyl-3-hydroxy-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinoline-4-carboxylic acid Traditional Name: 8-ethyl-3-hydroxy-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]cinchoninic acid Formula: C22H18F3NO3 MolecularWeight: 401.37843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C(C(=C(N=C21)C3(CC3)C4=CC=C(C=C4)C(F)(F)F)O)C(=O)O

Isomeric SMILES

CCC1=CC=CC2=C(C(=C(N=C21)C3(CC3)C4=CC=C(C=C4)C(F)(F)F)O)C(=O)O

InChI

InChI=1S/C22H18F3NO3/c1-2-12-4-3-5-15-16(20(28)29)18(27)19(26-17(12)15)21(10-11-21)13-6-8-14(9-7-13)22(23,24)25/h3-9,27H,2,10-11H2,1H3,(H,28,29)