O3-ethyl O6-propan-2-yl 4-[[2-(trifluoromethyl)phenyl]amino]quinoline-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-propan-2-yl 4-[[2-(trifluoromethyl)phenyl]amino]quinoline-3,6-dicarboxylate Openeye Name: O3-ethyl O6-isopropyl 4-[2-(trifluoromethyl)anilino]quinoline-3,6-dicarboxylate CAS Name: 4-[2-(trifluoromethyl)anilino]quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-propan-2-yl ester IUPAC Name: 3-O-ethyl 6-O-propan-2-yl 4-[2-(trifluoromethyl)anilino]quinoline-3,6-dicarboxylate Traditional Name: 4-[2-(trifluoromethyl)anilino]quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-isopropyl ester Formula: C23H21F3N2O4 MolecularWeight: 446.41905

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=CC=C3C(F)(F)F)C(=O)OC(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=CC=C3C(F)(F)F)C(=O)OC(C)C

InChI

InChI=1S/C23H21F3N2O4/c1-4-31-22(30)16-12-27-18-10-9-14(21(29)32-13(2)3)11-15(18)20(16)28-19-8-6-5-7-17(19)23(24,25)26/h5-13H,4H2,1-3H3,(H,27,28)