(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(trifluoromethyl)-3-quinolinecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(trifluoromethyl)quinoline-3-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H13ClF3NO4 MolecularWeight: 423.76973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C4=CC=CC=C4N=C3)C(F)(F)F)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C4=CC=CC=C4N=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H13ClF3NO4/c21-13-5-11-8-27-10-29-18(11)12(6-13)9-28-19(26)15-7-25-16-4-2-1-3-14(16)17(15)20(22,23)24/h1-7H,8-10H2