ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C21H17F3N2O4 MolecularWeight: 418.36589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC4=C(C=C3)OCCO4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC4=C(C=C3)OCCO4)C(F)(F)F

InChI

InChI=1S/C21H17F3N2O4/c1-2-28-20(27)15-11-25-16-9-12(21(22,23)24)3-5-14(16)19(15)26-13-4-6-17-18(10-13)30-8-7-29-17/h3-6,9-11H,2,7-8H2,1H3,(H,25,26)