7-[4-azanyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-azanyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-amino-4-[(tert-butoxycarbonylamino)methyl]-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-amino-4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-piperidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-amino-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-amino-4-[(tert-butoxycarbonylamino)methyl]piperidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C25H33FN4O6 MolecularWeight: 504.551123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1(CCN(CC1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)N

Isomeric SMILES

CC(C)(C)OC(=O)NCC1(CCN(CC1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)N

InChI

InChI=1S/C25H33FN4O6/c1-24(2,3)36-23(34)28-13-25(27)7-9-29(10-8-25)19-17(26)11-15-18(21(19)35-4)30(14-5-6-14)12-16(20(15)31)22(32)33/h11-12,14H,5-10,13,27H2,1-4H3,(H,28,34)(H,32,33)