7-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyloxy)quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyloxy)quinoline-3-carboxylic acid Openeye Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethoxy)quinoline-3-carboxylic acid CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethoxy)-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethoxy)quinoline-3-carboxylic acid Traditional Name: 7-[(3S)-3-aminopyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-(trifluoromethoxy)quinoline-3-carboxylic acid Formula: C18H17F4N3O4 MolecularWeight: 415.338893

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)OC(F)(F)F)N4CCC(C4)N)F)C(=O)O

Isomeric SMILES

C1CN(C[C@H]1N)C2=C(C=C3C(=C2OC(F)(F)F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C18H17F4N3O4/c19-12-5-10-13(25(9-1-2-9)7-11(15(10)26)17(27)28)16(29-18(20,21)22)14(12)24-4-3-8(23)6-24/h5,7-9H,1-4,6,23H2,(H,27,28)/t8-/m0/s1