methyl 3-(3-methylimidazol-4-yl)-7-oxidanyl-6-(trifluoromethyl)naphthalene-1-carboxylate

Systemtic Name: methyl 3-(3-methylimidazol-4-yl)-7-oxidanyl-6-(trifluoromethyl)naphthalene-1-carboxylate Openeye Name: methyl 7-hydroxy-3-(3-methylimidazol-4-yl)-6-(trifluoromethyl)naphthalene-1-carboxylate CAS Name: 7-hydroxy-3-(3-methyl-4-imidazolyl)-6-(trifluoromethyl)-1-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 7-hydroxy-3-(3-methylimidazol-4-yl)-6-(trifluoromethyl)naphthalene-1-carboxylate Traditional Name: 7-hydroxy-3-(3-methylimidazol-4-yl)-6-(trifluoromethyl)naphthalene-1-carboxylic acid methyl ester Formula: C17H13F3N2O3 MolecularWeight: 350.29193

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=CC(=C3C=C(C(=CC3=C2)C(F)(F)F)O)C(=O)OC

Isomeric SMILES

CN1C=NC=C1C2=CC(=C3C=C(C(=CC3=C2)C(F)(F)F)O)C(=O)OC

InChI

InChI=1S/C17H13F3N2O3/c1-22-8-21-7-14(22)10-3-9-5-13(17(18,19)20)15(23)6-11(9)12(4-10)16(24)25-2/h3-8,23H,1-2H3