2-azanyl-6,8-bis(fluoranyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-5-propanoyl-1-pyrrolidin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-6,8-bis(fluoranyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-5-propanoyl-1-pyrrolidin-1-yl-quinoline-3-carboxylic acid Openeye Name: 2-amino-7-(tert-butoxycarbonylamino)-6,8-difluoro-4-oxo-5-propanoyl-1-pyrrolidin-1-yl-quinoline-3-carboxylic acid CAS Name: 2-amino-6,8-difluoro-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-5-(1-oxopropyl)-1-(1-pyrrolidinyl)-3-quinolinecarboxylic acid IUPAC Name: 2-amino-6,8-difluoro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-5-propanoyl-1-pyrrolidin-1-ylquinoline-3-carboxylic acid Traditional Name: 2-amino-7-(tert-butoxycarbonylamino)-6,8-difluoro-4-keto-5-propionyl-1-pyrrolidino-quinoline-3-carboxylic acid Formula: C22H26F2N4O6 MolecularWeight: 480.461846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C2C(=C(C(=C1F)NC(=O)OC(C)(C)C)F)N(C(=C(C2=O)C(=O)O)N)N3CCCC3

Isomeric SMILES

CCC(=O)C1=C2C(=C(C(=C1F)NC(=O)OC(C)(C)C)F)N(C(=C(C2=O)C(=O)O)N)N3CCCC3

InChI

InChI=1S/C22H26F2N4O6/c1-5-10(29)11-12-17(15(24)16(14(11)23)26-21(33)34-22(2,3)4)28(27-8-6-7-9-27)19(25)13(18(12)30)20(31)32/h5-9,25H2,1-4H3,(H,26,33)(H,31,32)