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

Systemtic Name: 7-ethyl-3-oxidanyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinoline-4-carboxylic acid Openeye Name: 7-ethyl-3-hydroxy-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinoline-4-carboxylic acid CAS Name: 7-ethyl-3-hydroxy-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-4-quinolinecarboxylic acid IUPAC Name: 7-ethyl-3-hydroxy-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinoline-4-carboxylic acid Traditional Name: 7-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=CC2=NC(=C(C(=C2C=C1)C(=O)O)O)C3(CC3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

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

InChI

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