5-azanyl-7-[2-azanyl-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-[2-azanyl-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(2-amino-4-tert-butoxycarbonyl-3,3-dimethyl-1-piperidyl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[2-amino-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(2-amino-4-tert-butoxycarbonyl-3,3-dimethyl-piperidino)-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C26H35FN4O6 MolecularWeight: 518.577703

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCN(C1N)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)OC)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(C(CCN(C1N)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)OC)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C26H35FN4O6/c1-25(2,3)37-23(35)14-9-10-30(24(29)26(14,4)5)19-16(27)17(28)15-18(21(19)36-6)31(12-7-8-12)11-13(20(15)32)22(33)34/h11-12,14,24H,7-10,28-29H2,1-6H3,(H,33,34)