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

Systemtic Name: 7-[(3S,4S)-3-azanyl-4-(fluoranylmethyl)-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,4S)-3-amino-4-(fluoromethyl)-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S,4S)-3-amino-4-(fluoromethyl)-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,4S)-3-amino-4-(fluoromethyl)-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,4S)-3-amino-4-(fluoromethyl)-3-methyl-pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C20H23F2N3O3 MolecularWeight: 391.411726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CC(C(C3)(C)N)CF)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3C[C@@H]([C@](C3)(C)N)CF)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C20H23F2N3O3/c1-10-16-13(18(26)14(19(27)28)8-25(16)12-3-4-12)5-15(22)17(10)24-7-11(6-21)20(2,23)9-24/h5,8,11-12H,3-4,6-7,9,23H2,1-2H3,(H,27,28)/t11-,20+/m0/s1