ethyl 4-(1,3-benzodioxol-5-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylamino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C20H15F3N2O4 MolecularWeight: 404.33931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC4=C(C=C3)OCO4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC4=C(C=C3)OCO4)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O4/c1-2-27-19(26)14-9-24-15-7-11(20(21,22)23)3-5-13(15)18(14)25-12-4-6-16-17(8-12)29-10-28-16/h3-9H,2,10H2,1H3,(H,24,25)