7-[3-(butoxycarbonylamino)pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(butoxycarbonylamino)pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(butoxycarbonylamino)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[[butoxy(oxo)methyl]amino]-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(butoxycarbonylamino)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(butoxycarbonylamino)pyrrolidino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H25F2N3O5 MolecularWeight: 449.447806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CCCCOC(=O)NC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C22H25F2N3O5/c1-2-3-8-32-22(31)25-12-6-7-26(10-12)19-16(23)9-14-18(17(19)24)27(13-4-5-13)11-15(20(14)28)21(29)30/h9,11-13H,2-8,10H2,1H3,(H,25,31)(H,29,30)