6-methyl-3-oxidanyl-2-(1-phenylcyclopropyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid

Systemtic Name: 6-methyl-3-oxidanyl-2-(1-phenylcyclopropyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid Openeye Name: 3-hydroxy-6-methyl-2-(1-phenylcyclopropyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid CAS Name: 3-hydroxy-6-methyl-2-(1-phenylcyclopropyl)-8-(trifluoromethyl)-4-quinolinecarboxylic acid IUPAC Name: 3-hydroxy-6-methyl-2-(1-phenylcyclopropyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-6-methyl-2-(1-phenylcyclopropyl)-8-(trifluoromethyl)cinchoninic acid Formula: C21H16F3NO3 MolecularWeight: 387.35185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16F3NO3/c1-11-9-13-15(19(27)28)17(26)18(25-16(13)14(10-11)21(22,23)24)20(7-8-20)12-5-3-2-4-6-12/h2-6,9-10,26H,7-8H2,1H3,(H,27,28)