2-(2-azanyl-1-phenylmethoxy-3-phenylmethoxycarbonyl-2,6-dihydropurin-9-yl)ethanoic acid

Systemtic Name: 2-(2-azanyl-1-phenylmethoxy-3-phenylmethoxycarbonyl-2,6-dihydropurin-9-yl)ethanoic acid Openeye Name: 2-(2-amino-1-benzyloxy-3-benzyloxycarbonyl-2,6-dihydropurin-9-yl)acetic acid CAS Name: 2-(2-amino-1-phenylmethoxy-3-phenylmethoxycarbonyl-2,6-dihydropurin-9-yl)acetic acid IUPAC Name: 2-(2-amino-1-phenylmethoxy-3-phenylmethoxycarbonyl-2,6-dihydropurin-9-yl)acetic acid Traditional Name: 2-(2-amino-1-benzoxy-3-carbobenzoxy-2,6-dihydropurin-9-yl)acetic acid Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N(C=N2)CC(=O)O)N(C(N1OCC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C2=C(N(C=N2)CC(=O)O)N(C(N1OCC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O5/c23-21-26(32-14-17-9-5-2-6-10-17)11-18-20(25(15-24-18)12-19(28)29)27(21)22(30)31-13-16-7-3-1-4-8-16/h1-10,15,21H,11-14,23H2,(H,28,29)