[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 7-fluoro-2-methyl-quinoline-3-carboxylate CAS Name: 7-fluoro-2-methyl-3-quinolinecarboxylic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 7-fluoro-2-methylquinoline-3-carboxylate Traditional Name: 7-fluoro-2-methyl-quinoline-3-carboxylic acid (2-keto-2-mesidino-ethyl) ester Formula: C22H21FN2O3 MolecularWeight: 380.412143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(N=C3C=C(C=CC3=C2)F)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(N=C3C=C(C=CC3=C2)F)C)C

InChI

InChI=1S/C22H21FN2O3/c1-12-7-13(2)21(14(3)8-12)25-20(26)11-28-22(27)18-9-16-5-6-17(23)10-19(16)24-15(18)4/h5-10H,11H2,1-4H3,(H,25,26)