2-[7-chloranyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(3-phosphonopentan-3-yl)quinolin-2-yl]propanoate

Systemtic Name: 2-[7-chloranyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(3-phosphonopentan-3-yl)quinolin-2-yl]propanoate Openeye Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-7-chloro-3-(1-ethyl-1-phosphono-propyl)-2-quinolyl]propanoate CAS Name: 2-[7-chloro-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-(3-phosphonopentan-3-yl)-2-quinolinyl]propanoate IUPAC Name: 2-[7-chloro-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(3-phosphonopentan-3-yl)quinolin-2-yl]propanoate Traditional Name: 2-[6-[(tert-butoxycarbonylamino)methyl]-7-chloro-3-(1-ethyl-1-phosphono-propyl)-2-quinolyl]propionate Formula: C23H31ClN2O7P- MolecularWeight: 513.928201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC2=CC(=C(C=C2N=C1C(C)C(=O)[O-])Cl)CNC(=O)OC(C)(C)C)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC2=CC(=C(C=C2N=C1C(C)C(=O)[O-])Cl)CNC(=O)OC(C)(C)C)P(=O)(O)O

InChI

InChI=1S/C23H32ClN2O7P/c1-7-23(8-2,34(30,31)32)16-10-14-9-15(12-25-21(29)33-22(4,5)6)17(24)11-18(14)26-19(16)13(3)20(27)28/h9-11,13H,7-8,12H2,1-6H3,(H,25,29)(H,27,28)(H2,30,31,32)/p-1