1-ethyl-6-fluoranyl-4-oxidanylidene-7-[(4-propan-2-ylphenyl)amino]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[(4-propan-2-ylphenyl)amino]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-(4-isopropylanilino)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-(4-propan-2-ylanilino)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-(4-propan-2-ylanilino)quinoline-3-carboxylic acid Traditional Name: 7-cumidino-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H21FN2O3 MolecularWeight: 368.401443

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)NC3=CC=C(C=C3)C(C)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)NC3=CC=C(C=C3)C(C)C)F)C(=O)O

InChI

InChI=1S/C21H21FN2O3/c1-4-24-11-16(21(26)27)20(25)15-9-17(22)18(10-19(15)24)23-14-7-5-13(6-8-14)12(2)3/h5-12,23H,4H2,1-3H3,(H,26,27)