7-[(2S,3R)-3-azanyl-2-methyl-azetidin-1-yl]-1-tert-butyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(2S,3R)-3-azanyl-2-methyl-azetidin-1-yl]-1-tert-butyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(2S,3R)-3-amino-2-methyl-azetidin-1-yl]-1-tert-butyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(2S,3R)-3-amino-2-methyl-1-azetidinyl]-1-tert-butyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(2S,3R)-3-amino-2-methylazetidin-1-yl]-1-tert-butyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(2S,3R)-3-amino-2-methyl-azetidin-1-yl]-1-tert-butyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H21F2N3O3 MolecularWeight: 365.374446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CN1C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C(C)(C)C)F)N

Isomeric SMILES

C[C@H]1[C@@H](CN1C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C(C)(C)C)F)N

InChI

InChI=1S/C18H21F2N3O3/c1-8-12(21)7-22(8)15-11(19)5-9-14(13(15)20)23(18(2,3)4)6-10(16(9)24)17(25)26/h5-6,8,12H,7,21H2,1-4H3,(H,25,26)/t8-,12+/m0/s1