2-(6-phenylmethoxy-8-phenylmethoxycarbonyl-purin-9-yl)ethanoic acid

Systemtic Name: 2-(6-phenylmethoxy-8-phenylmethoxycarbonyl-purin-9-yl)ethanoic acid Openeye Name: 2-(6-benzyloxy-8-benzyloxycarbonyl-purin-9-yl)acetic acid CAS Name: 2-(6-phenylmethoxy-8-phenylmethoxycarbonyl-9-purinyl)acetic acid IUPAC Name: 2-(6-phenylmethoxy-8-phenylmethoxycarbonylpurin-9-yl)acetic acid Traditional Name: 2-(6-benzoxy-8-carbobenzoxy-purin-9-yl)acetic acid Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC=NC3=C2N=C(N3CC(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC=NC3=C2N=C(N3CC(=O)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O5/c27-17(28)11-26-19-18(21(24-14-23-19)30-12-15-7-3-1-4-8-15)25-20(26)22(29)31-13-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,27,28)