2-(oxan-2-yloxy)-2-[6-(phenylmethoxycarbonylamino)hexyl]propanedioic acid

Systemtic Name: 2-(oxan-2-yloxy)-2-[6-(phenylmethoxycarbonylamino)hexyl]propanedioic acid Openeye Name: 2-[6-(benzyloxycarbonylamino)hexyl]-2-tetrahydropyran-2-yloxy-propanedioic acid CAS Name: 2-(2-oxanyloxy)-2-[6-(phenylmethoxycarbonylamino)hexyl]propanedioic acid IUPAC Name: 2-(oxan-2-yloxy)-2-[6-(phenylmethoxycarbonylamino)hexyl]propanedioic acid Traditional Name: 2-[6-(benzyloxycarbonylamino)hexyl]-2-tetrahydropyran-2-yloxy-malonic acid Formula: C22H31NO8 MolecularWeight: 437.48344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC(CCCCCCNC(=O)OCC2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

C1CCOC(C1)OC(CCCCCCNC(=O)OCC2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C22H31NO8/c24-19(25)22(20(26)27,31-18-12-6-9-15-29-18)13-7-1-2-8-14-23-21(28)30-16-17-10-4-3-5-11-17/h3-5,10-11,18H,1-2,6-9,12-16H2,(H,23,28)(H,24,25)(H,26,27)