[(7R)-7-(6-aminopurin-9-yl)nonyl] 2-(phenylmethyl)benzoate

Systemtic Name: [(7R)-7-(6-aminopurin-9-yl)nonyl] 2-(phenylmethyl)benzoate Openeye Name: [(7R)-7-(6-aminopurin-9-yl)nonyl] 2-benzylbenzoate CAS Name: 2-(phenylmethyl)benzoic acid [(7R)-7-(6-aminopurin-9-yl)nonyl] ester IUPAC Name: [(7R)-7-(6-aminopurin-9-yl)nonyl] 2-benzylbenzoate Traditional Name: 2-benzylbenzoic acid [(7R)-7-adenin-9-ylnonyl] ester Formula: C28H33N5O2 MolecularWeight: 471.59392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCOC(=O)C1=CC=CC=C1CC2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

CC[C@H](CCCCCCOC(=O)C1=CC=CC=C1CC2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C28H33N5O2/c1-2-23(33-20-32-25-26(29)30-19-31-27(25)33)15-8-3-4-11-17-35-28(34)24-16-10-9-14-22(24)18-21-12-6-5-7-13-21/h5-7,9-10,12-14,16,19-20,23H,2-4,8,11,15,17-18H2,1H3,(H2,29,30,31)/t23-/m1/s1