2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-2-(phenylcarbonyloxy)propanedioic acid

Systemtic Name: 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-2-(phenylcarbonyloxy)propanedioic acid Openeye Name: 2-benzoyloxy-2-[6-(tert-butoxycarbonylamino)hexyl]propanedioic acid CAS Name: 2-benzoyloxy-2-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexyl]propanedioic acid IUPAC Name: 2-benzoyloxy-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]propanedioic acid Traditional Name: 2-benzoyloxy-2-[6-(tert-butoxycarbonylamino)hexyl]malonic acid Formula: C21H29NO8 MolecularWeight: 423.45686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCC(C(=O)O)(C(=O)O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCC(C(=O)O)(C(=O)O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C21H29NO8/c1-20(2,3)30-19(28)22-14-10-5-4-9-13-21(17(24)25,18(26)27)29-16(23)15-11-7-6-8-12-15/h6-8,11-12H,4-5,9-10,13-14H2,1-3H3,(H,22,28)(H,24,25)(H,26,27)