7-[(3S,4R)-3-azanyl-4-(trifluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S,4R)-3-azanyl-4-(trifluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S,4R)-3-amino-4-(trifluoromethyl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C19H19F4N3O4 MolecularWeight: 429.365473

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CC(C(C3)N)C(F)(F)F)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3C[C@H]([C@@H](C3)N)C(F)(F)F)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C19H19F4N3O4/c1-30-17-14-9(16(27)10(18(28)29)5-26(14)8-2-3-8)4-12(20)15(17)25-6-11(13(24)7-25)19(21,22)23/h4-5,8,11,13H,2-3,6-7,24H2,1H3,(H,28,29)/t11-,13-/m1/s1