[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(trifluoromethyl)-3-quinolinecarboxylic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(trifluoromethyl)quinoline-3-carboxylic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C20H14F3NO4 MolecularWeight: 389.32467

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)COC(=O)C3=C(C4=CC=CC=C4N=C3)C(F)(F)F

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)COC(=O)C3=C(C4=CC=CC=C4N=C3)C(F)(F)F

InChI

InChI=1S/C20H14F3NO4/c21-20(22,23)18-13-5-1-2-6-15(13)24-9-14(18)19(25)27-11-12-10-26-16-7-3-4-8-17(16)28-12/h1-9,12H,10-11H2/t12-/m1/s1