7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-1-(1-fluoranyl-2-methyl-propan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-1-(1-fluoranyl-2-methyl-propan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(2-fluoro-1,1-dimethyl-ethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-6-fluoro-1-(1-fluoro-2-methylpropan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(1-fluoro-2-methylpropan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S)-3-aminopyrrolidino]-6-fluoro-1-(2-fluoro-1,1-dimethyl-ethyl)-4-keto-quinoline-3-carboxylic acid Formula: C18H21F2N3O3 MolecularWeight: 365.374446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(CF)N1C=C(C(=O)C2=CC(=C(C=C21)N3CC[C@@H](C3)N)F)C(=O)O

InChI

InChI=1S/C18H21F2N3O3/c1-18(2,9-19)23-8-12(17(25)26)16(24)11-5-13(20)15(6-14(11)23)22-4-3-10(21)7-22/h5-6,8,10H,3-4,7,9,21H2,1-2H3,(H,25,26)/t10-/m0/s1