1-cyclopropyl-7-[(3S,4R)-4-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[(3S,4R)-4-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,4R)-3-(tert-butoxycarbonylamino)-4-ethyl-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[(3S,4R)-4-ethyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[(3S,4R)-4-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,4R)-3-(tert-butoxycarbonylamino)-4-ethyl-piperidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C26H34FN3O6 MolecularWeight: 503.563063

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1NC(=O)OC(C)(C)C)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC[C@@H]1CCN(C[C@H]1NC(=O)OC(C)(C)C)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C26H34FN3O6/c1-6-14-9-10-29(13-19(14)28-25(34)36-26(2,3)4)21-18(27)11-16-20(23(21)35-5)30(15-7-8-15)12-17(22(16)31)24(32)33/h11-12,14-15,19H,6-10,13H2,1-5H3,(H,28,34)(H,32,33)/t14-,19-/m1/s1