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

Systemtic Name: 8-chloranyl-1-cyclopropyl-7-[(3S,4R)-4-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,4R)-3-(tert-butoxycarbonylamino)-4-ethyl-1-piperidyl]-8-chloro-1-cyclopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-7-[(3S,4R)-4-ethyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-7-[(3S,4R)-4-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,4R)-3-(tert-butoxycarbonylamino)-4-ethyl-piperidino]-8-chloro-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid Formula: C25H32ClN3O5 MolecularWeight: 489.99168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1NC(=O)OC(C)(C)C)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)Cl

Isomeric SMILES

CC[C@@H]1CCN(C[C@H]1NC(=O)OC(C)(C)C)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)Cl

InChI

InChI=1S/C25H32ClN3O5/c1-5-14-10-11-28(13-18(14)27-24(33)34-25(2,3)4)19-9-8-16-21(20(19)26)29(15-6-7-15)12-17(22(16)30)23(31)32/h8-9,12,14-15,18H,5-7,10-11,13H2,1-4H3,(H,27,33)(H,31,32)/t14-,18-/m1/s1