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

Systemtic Name: 3-oxidanyl-6-phenyl-2-(1-phenylcyclopropyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid Openeye Name: 3-hydroxy-6-phenyl-2-(1-phenylcyclopropyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid CAS Name: 3-hydroxy-6-phenyl-2-(1-phenylcyclopropyl)-8-(trifluoromethyl)-4-quinolinecarboxylic acid IUPAC Name: 3-hydroxy-6-phenyl-2-(1-phenylcyclopropyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-6-phenyl-2-(1-phenylcyclopropyl)-8-(trifluoromethyl)cinchoninic acid Formula: C26H18F3NO3 MolecularWeight: 449.42123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C3=NC4=C(C=C(C=C4C(=C3O)C(=O)O)C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C3=NC4=C(C=C(C=C4C(=C3O)C(=O)O)C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C26H18F3NO3/c27-26(28,29)19-14-16(15-7-3-1-4-8-15)13-18-20(24(32)33)22(31)23(30-21(18)19)25(11-12-25)17-9-5-2-6-10-17/h1-10,13-14,31H,11-12H2,(H,32,33)