7-(3-azanylpyrrolidin-1-yl)-1-tert-butyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-1-tert-butyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-pyrrolidinyl)-1-tert-butyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-aminopyrrolidino)-1-tert-butyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H21F2N3O3 MolecularWeight: 365.374446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCC(C3)N)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCC(C3)N)F)C(=O)O

InChI

InChI=1S/C18H21F2N3O3/c1-18(2,3)23-8-11(17(25)26)16(24)10-6-12(19)15(13(20)14(10)23)22-5-4-9(21)7-22/h6,8-9H,4-5,7,21H2,1-3H3,(H,25,26)