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

Systemtic Name: 7-(3-azanyl-4-ethenyl-3-methyl-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-vinyl-pyrrolidin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-4-ethenyl-3-methyl-1-pyrrolidinyl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-amino-4-ethenyl-3-methylpyrrolidin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-amino-3-methyl-4-vinyl-pyrrolidino)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H23F2N3O3 MolecularWeight: 403.422426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F2N3O3/c1-4-11-7-25(9-21(11,3)24)18-10(2)17-12(5-15(18)23)19(27)13(20(28)29)8-26(17)16-6-14(16)22/h4-5,8,11,14,16H,1,6-7,9,24H2,2-3H3,(H,28,29)/t11?,14-,16+,21?/m0/s1