7-(3-azanyl-4-ethyl-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-ethyl-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-4-ethyl-3-methyl-pyrrolidin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-4-ethyl-3-methyl-1-pyrrolidinyl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-amino-4-ethyl-3-methylpyrrolidin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-amino-4-ethyl-3-methyl-pyrrolidino)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H25F2N3O3 MolecularWeight: 405.438306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC1(C)N)C2=C(C=C3C(=C2C)N(C=C(C3=O)C(=O)O)C4CC4F)F

Isomeric SMILES

CCC1CN(CC1(C)N)C2=C(C=C3C(=C2C)N(C=C(C3=O)C(=O)O)[C@@H]4C[C@@H]4F)F

InChI

InChI=1S/C21H25F2N3O3/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/h5,8,11,14,16H,4,6-7,9,24H2,1-3H3,(H,28,29)/t11?,14-,16+,21?/m0/s1