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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid Openeye Name: 7-[(3S)-3-(tert-butoxycarbonylamino)-1-piperidyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[(3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid Traditional Name: 7-[(3S)-3-(tert-butoxycarbonylamino)piperidino]-1-cyclopropyl-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid Formula: C22H27FN4O5 MolecularWeight: 446.471983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F

InChI

InChI=1S/C22H27FN4O5/c1-22(2,3)32-21(31)24-12-5-4-8-26(10-12)19-16(23)9-14-17(28)15(20(29)30)11-27(13-6-7-13)18(14)25-19/h9,11-13H,4-8,10H2,1-3H3,(H,24,31)(H,29,30)/t12-/m0/s1