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

Systemtic Name: 7-(3-azanyl-4-cyclopropyl-3-methyl-pyrrolidin-1-yl)-6-fluoranyl-1-[(1R,2S)-2-fluoranylcyclopropyl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-amino-4-cyclopropyl-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-4-cyclopropyl-3-methyl-1-pyrrolidinyl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-amino-4-cyclopropyl-3-methylpyrrolidin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-amino-4-cyclopropyl-3-methyl-pyrrolidino)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H25F2N3O4 MolecularWeight: 433.448406

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC1C2CC2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5F)F)N

Isomeric SMILES

CC1(CN(CC1C2CC2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)[C@@H]5C[C@@H]5F)F)N

InChI

InChI=1S/C22H25F2N3O4/c1-22(25)9-26(8-13(22)10-3-4-10)18-15(24)5-11-17(20(18)31-2)27(16-6-14(16)23)7-12(19(11)28)21(29)30/h5,7,10,13-14,16H,3-4,6,8-9,25H2,1-2H3,(H,29,30)/t13?,14-,16+,22?/m0/s1