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

Systemtic Name: O3-ethyl O6-propan-2-yl 4-[(4-fluorophenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: O3-ethyl O6-isopropyl 4-(4-fluoroanilino)quinoline-3,6-dicarboxylate CAS Name: 4-(4-fluoroanilino)quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-propan-2-yl ester IUPAC Name: 3-O-ethyl 6-O-propan-2-yl 4-(4-fluoroanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(4-fluoroanilino)quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-isopropyl ester Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)F)C(=O)OC(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)F)C(=O)OC(C)C

InChI

InChI=1S/C22H21FN2O4/c1-4-28-22(27)18-12-24-19-10-5-14(21(26)29-13(2)3)11-17(19)20(18)25-16-8-6-15(23)7-9-16/h5-13H,4H2,1-3H3,(H,24,25)