5-(butoxycarbonylamino)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-2-pyrrolidin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 5-(butoxycarbonylamino)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-2-pyrrolidin-1-yl-quinoline-3-carboxylic acid Openeye Name: 5-(butoxycarbonylamino)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-2-pyrrolidin-1-yl-quinoline-3-carboxylic acid CAS Name: 5-[[butoxy(oxo)methyl]amino]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-2-(1-pyrrolidinyl)-3-quinolinecarboxylic acid IUPAC Name: 5-(butoxycarbonylamino)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-2-pyrrolidin-1-ylquinoline-3-carboxylic acid Traditional Name: 5-(butoxycarbonylamino)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-2-pyrrolidino-quinoline-3-carboxylic acid Formula: C22H25ClFN3O5 MolecularWeight: 465.902403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=C2C(=C(C=C1F)Cl)N(C(=C(C2=O)C(=O)O)N3CCCC3)C4CC4

Isomeric SMILES

CCCCOC(=O)NC1=C2C(=C(C=C1F)Cl)N(C(=C(C2=O)C(=O)O)N3CCCC3)C4CC4

InChI

InChI=1S/C22H25ClFN3O5/c1-2-3-10-32-22(31)25-17-14(24)11-13(23)18-15(17)19(28)16(21(29)30)20(26-8-4-5-9-26)27(18)12-6-7-12/h11-12H,2-10H2,1H3,(H,25,31)(H,29,30)