ethyl 4-(1,3-benzodioxol-5-ylamino)-8-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylamino)-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-8-(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(=C1NC3=CC4=C(C=C3)OCO4)C=CC=C2C(F)(F)F

Isomeric SMILES

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

InChI

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