[3-(phenylcarbonyloxy)-2-(purin-7-ylmethoxy)propyl] benzoate

Systemtic Name: [3-(phenylcarbonyloxy)-2-(purin-7-ylmethoxy)propyl] benzoate Openeye Name: [3-benzoyloxy-2-(purin-7-ylmethoxy)propyl] benzoate CAS Name: benzoic acid [3-benzoyloxy-2-(7-purinylmethoxy)propyl] ester IUPAC Name: [3-benzoyloxy-2-(purin-7-ylmethoxy)propyl] benzoate Traditional Name: benzoic acid [3-benzoyloxy-2-(purin-7-ylmethoxy)propyl] ester Formula: C23H20N4O5 MolecularWeight: 432.4287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OCN3C=NC4=NC=NC=C43

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OCN3C=NC4=NC=NC=C43

InChI

InChI=1S/C23H20N4O5/c28-22(17-7-3-1-4-8-17)30-12-19(13-31-23(29)18-9-5-2-6-10-18)32-16-27-15-26-21-20(27)11-24-14-25-21/h1-11,14-15,19H,12-13,16H2