methyl 2-(3-methylimidazol-4-yl)-6-oxidanyl-7-(trifluoromethyl)quinoline-4-carboxylate

Systemtic Name: methyl 2-(3-methylimidazol-4-yl)-6-oxidanyl-7-(trifluoromethyl)quinoline-4-carboxylate Openeye Name: methyl 6-hydroxy-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carboxylate CAS Name: 6-hydroxy-2-(3-methyl-4-imidazolyl)-7-(trifluoromethyl)-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-hydroxy-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carboxylate Traditional Name: 6-hydroxy-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)cinchoninic acid methyl ester Formula: C16H12F3N3O3 MolecularWeight: 351.27999

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=NC3=CC(=C(C=C3C(=C2)C(=O)OC)O)C(F)(F)F

Isomeric SMILES

CN1C=NC=C1C2=NC3=CC(=C(C=C3C(=C2)C(=O)OC)O)C(F)(F)F

InChI

InChI=1S/C16H12F3N3O3/c1-22-7-20-6-13(22)12-3-9(15(24)25-2)8-4-14(23)10(16(17,18)19)5-11(8)21-12/h3-7,23H,1-2H3