ethanedioic acid; [3-[[1-(2-methoxyethoxycarbonylamino)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propyl] 2-fluoranylbenzoate

Systemtic Name: ethanedioic acid; [3-[[1-(2-methoxyethoxycarbonylamino)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propyl] 2-fluoranylbenzoate Openeye Name: [2-hydroxy-3-[[2-(2-methoxyethoxycarbonylamino)-1,1-dimethyl-ethyl]amino]propyl] 2-fluorobenzoate; oxalic acid CAS Name: 2-fluorobenzoic acid [2-hydroxy-3-[[1-[[2-methoxyethoxy(oxo)methyl]amino]-2-methylpropan-2-yl]amino]propyl] ester; oxalic acid IUPAC Name: [2-hydroxy-3-[[1-(2-methoxyethoxycarbonylamino)-2-methylpropan-2-yl]amino]propyl] 2-fluorobenzoate; oxalic acid Traditional Name: 2-fluorobenzoic acid [2-hydroxy-3-[[2-(2-methoxyethoxycarbonylamino)-1,1-dimethyl-ethyl]amino]propyl] ester; oxalic acid Formula: C20H29FN2O10 MolecularWeight: 476.450063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)OCCOC)NCC(COC(=O)C1=CC=CC=C1F)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(CNC(=O)OCCOC)NCC(COC(=O)C1=CC=CC=C1F)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27FN2O6.C2H2O4/c1-18(2,12-20-17(24)26-9-8-25-3)21-10-13(22)11-27-16(23)14-6-4-5-7-15(14)19;3-1(4)2(5)6/h4-7,13,21-22H,8-12H2,1-3H3,(H,20,24);(H,3,4)(H,5,6)