[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(2-phenylphenoxy)ethanoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(2-phenylphenoxy)ethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-(2-phenylphenoxy)acetate CAS Name: 2-(2-phenylphenoxy)acetic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 2-(2-phenylphenoxy)acetate Traditional Name: 2-(2-phenylphenoxy)acetic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C27H30N4O5 MolecularWeight: 490.5509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC=CC=C3C4=CC=CC=C4)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC=CC=C3C4=CC=CC=C4)CCC

InChI

InChI=1S/C27H30N4O5/c1-3-5-16-31-25-24(26(33)29-27(31)34)30(15-4-2)22(28-25)17-36-23(32)18-35-21-14-10-9-13-20(21)19-11-7-6-8-12-19/h6-14H,3-5,15-18H2,1-2H3,(H,29,33,34)