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

Systemtic Name: 7-(3-azanyl-3-methyl-4-propan-2-yl-pyrrolidin-1-yl)-6-fluoranyl-1-[(1R,2S)-2-fluoranylcyclopropyl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-amino-4-isopropyl-3-methyl-pyrrolidin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-3-methyl-4-propan-2-yl-1-pyrrolidinyl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-amino-3-methyl-4-propan-2-ylpyrrolidin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-amino-4-isopropyl-3-methyl-pyrrolidino)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H27F2N3O4 MolecularWeight: 435.464286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CC1(C)N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4F)F

Isomeric SMILES

CC(C)C1CN(CC1(C)N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)[C@@H]4C[C@@H]4F)F

InChI

InChI=1S/C22H27F2N3O4/c1-10(2)13-8-26(9-22(13,3)25)18-15(24)5-11-17(20(18)31-4)27(16-6-14(16)23)7-12(19(11)28)21(29)30/h5,7,10,13-14,16H,6,8-9,25H2,1-4H3,(H,29,30)/t13?,14-,16+,22?/m0/s1