5-azanyl-7-tert-butyl-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-tert-butyl-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-tert-butyl-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-tert-butyl-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-tert-butyl-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-tert-butyl-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C18H21FN2O4 MolecularWeight: 348.368743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(C(=C1F)N)C(=O)C(=CN2C3CC3)C(=O)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C2=C(C(=C1F)N)C(=O)C(=CN2C3CC3)C(=O)O)OC

InChI

InChI=1S/C18H21FN2O4/c1-18(2,3)11-12(19)13(20)10-14(16(11)25-4)21(8-5-6-8)7-9(15(10)22)17(23)24/h7-8H,5-6,20H2,1-4H3,(H,23,24)