2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-(phenylcarbonyloxy)propanedioic acid

Systemtic Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-(phenylcarbonyloxy)propanedioic acid Openeye Name: 2-benzoyloxy-2-[3-(tert-butoxycarbonylamino)propyl]propanedioic acid CAS Name: 2-benzoyloxy-2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]propanedioic acid IUPAC Name: 2-benzoyloxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioic acid Traditional Name: 2-benzoyloxy-2-[3-(tert-butoxycarbonylamino)propyl]malonic acid Formula: C18H23NO8 MolecularWeight: 381.37712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO8/c1-17(2,3)27-16(25)19-11-7-10-18(14(21)22,15(23)24)26-13(20)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,19,25)(H,21,22)(H,23,24)