ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethoxy]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethoxy]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethoxy]-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethoxy]-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C22H17F3N2O6 MolecularWeight: 462.37539

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1OCC(=O)NC3=CC4=C(C=C3)OCO4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1OCC(=O)NC3=CC4=C(C=C3)OCO4)C(F)(F)F

InChI

InChI=1S/C22H17F3N2O6/c1-2-30-21(29)15-9-26-16-7-12(22(23,24)25)3-5-14(16)20(15)31-10-19(28)27-13-4-6-17-18(8-13)33-11-32-17/h3-9H,2,10-11H2,1H3,(H,27,28)