ethanedioic acid; [3-(2-methylbut-3-yn-2-ylamino)-2-oxidanyl-propyl] 2-fluoranylbenzoate

Systemtic Name: ethanedioic acid; [3-(2-methylbut-3-yn-2-ylamino)-2-oxidanyl-propyl] 2-fluoranylbenzoate Openeye Name: [3-(1,1-dimethylprop-2-ynylamino)-2-hydroxy-propyl] 2-fluorobenzoate; oxalic acid CAS Name: 2-fluorobenzoic acid [2-hydroxy-3-(2-methylbut-3-yn-2-ylamino)propyl] ester; oxalic acid IUPAC Name: [2-hydroxy-3-(2-methylbut-3-yn-2-ylamino)propyl] 2-fluorobenzoate; oxalic acid Traditional Name: 2-fluorobenzoic acid [3-(1,1-dimethylprop-2-ynylamino)-2-hydroxy-propyl] ester; oxalic acid Formula: C17H20FNO7 MolecularWeight: 369.341603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NCC(COC(=O)C1=CC=CC=C1F)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C#C)NCC(COC(=O)C1=CC=CC=C1F)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H18FNO3.C2H2O4/c1-4-15(2,3)17-9-11(18)10-20-14(19)12-7-5-6-8-13(12)16;3-1(4)2(5)6/h1,5-8,11,17-18H,9-10H2,2-3H3;(H,3,4)(H,5,6)