7-(3-azanyl-3-methyl-4-propan-2-yl-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-propan-2-yl-pyrrolidin-1-yl)-6-fluoranyl-1-[(1R,2S)-2-fluoranylcyclopropyl]-8-methyl-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-methyl-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-methyl-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-methyl-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-methyl-quinoline-3-carboxylic acid Formula: C22H27F2N3O3 MolecularWeight: 419.464886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27F2N3O3/c1-10(2)14-8-26(9-22(14,4)25)19-11(3)18-12(5-16(19)24)20(28)13(21(29)30)7-27(18)17-6-15(17)23/h5,7,10,14-15,17H,6,8-9,25H2,1-4H3,(H,29,30)/t14?,15-,17+,22?/m0/s1