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

Systemtic Name: 8-chloranyl-1-cyclopropyl-7-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S)-3-(tert-butoxycarbonylamino)-1-piperidyl]-8-chloro-1-cyclopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-7-[(3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-7-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S)-3-(tert-butoxycarbonylamino)piperidino]-8-chloro-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid Formula: C23H28ClN3O5 MolecularWeight: 461.93852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCCN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)Cl

InChI

InChI=1S/C23H28ClN3O5/c1-23(2,3)32-22(31)25-13-5-4-10-26(11-13)17-9-8-15-19(18(17)24)27(14-6-7-14)12-16(20(15)28)21(29)30/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,25,31)(H,29,30)/t13-/m0/s1