4-[1,3-bis(methoxycarbonylamino)propan-2-yloxycarbonylamino]benzoic acid

Systemtic Name: 4-[1,3-bis(methoxycarbonylamino)propan-2-yloxycarbonylamino]benzoic acid Openeye Name: 4-[[2-(methoxycarbonylamino)-1-[(methoxycarbonylamino)methyl]ethoxy]carbonylamino]benzoic acid CAS Name: 4-[[1,3-bis(methoxycarbonylamino)propan-2-yloxy-oxomethyl]amino]benzoic acid IUPAC Name: 4-[1,3-bis(methoxycarbonylamino)propan-2-yloxycarbonylamino]benzoic acid Traditional Name: 4-[[2-(carbomethoxyamino)-1-[(carbomethoxyamino)methyl]ethoxy]carbonylamino]benzoic acid Formula: C15H19N3O8 MolecularWeight: 369.32666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NCC(CNC(=O)OC)OC(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COC(=O)NCC(CNC(=O)OC)OC(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H19N3O8/c1-24-13(21)16-7-11(8-17-14(22)25-2)26-15(23)18-10-5-3-9(4-6-10)12(19)20/h3-6,11H,7-8H2,1-2H3,(H,16,21)(H,17,22)(H,18,23)(H,19,20)