7-(3-azanyl-3-methyl-4-methylidene-pyrrolidin-1-yl)-6-fluoranyl-1-[(1R,2S)-2-fluoranylcyclopropyl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanyl-3-methyl-4-methylidene-pyrrolidin-1-yl)-6-fluoranyl-1-[(1R,2S)-2-fluoranylcyclopropyl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-amino-3-methyl-4-methylene-pyrrolidin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-3-methyl-4-methylene-1-pyrrolidinyl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-amino-3-methyl-4-methylidenepyrrolidin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-amino-3-methyl-4-methylene-pyrrolidino)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C20H21F2N3O3 MolecularWeight: 389.395846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CC(=C)C(C3)(C)N)F)C(=O)C(=CN2C4CC4F)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CC(=C)C(C3)(C)N)F)C(=O)C(=CN2[C@@H]4C[C@@H]4F)C(=O)O

InChI

InChI=1S/C20H21F2N3O3/c1-9-6-24(8-20(9,3)23)17-10(2)16-11(4-14(17)22)18(26)12(19(27)28)7-25(16)15-5-13(15)21/h4,7,13,15H,1,5-6,8,23H2,2-3H3,(H,27,28)/t13-,15+,20?/m0/s1