2-(2-methoxy-3-methyl-4-phenylmethoxy-phenyl)-6-(trifluoromethyloxy)quinoline-4-carboxylic acid

Systemtic Name: 2-(2-methoxy-3-methyl-4-phenylmethoxy-phenyl)-6-(trifluoromethyloxy)quinoline-4-carboxylic acid Openeye Name: 2-(4-benzyloxy-2-methoxy-3-methyl-phenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid CAS Name: 2-(2-methoxy-3-methyl-4-phenylmethoxyphenyl)-6-(trifluoromethoxy)-4-quinolinecarboxylic acid IUPAC Name: 2-(2-methoxy-3-methyl-4-phenylmethoxyphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid Traditional Name: 2-(4-benzoxy-2-methoxy-3-methyl-phenyl)-6-(trifluoromethoxy)cinchoninic acid Formula: C26H20F3NO5 MolecularWeight: 483.43591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C2=NC3=C(C=C(C=C3)OC(F)(F)F)C(=C2)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1OC)C2=NC3=C(C=C(C=C3)OC(F)(F)F)C(=C2)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H20F3NO5/c1-15-23(34-14-16-6-4-3-5-7-16)11-9-18(24(15)33-2)22-13-20(25(31)32)19-12-17(35-26(27,28)29)8-10-21(19)30-22/h3-13H,14H2,1-2H3,(H,31,32)