methyl 4-[2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenoxy]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenoxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]benzoic acid methyl ester Formula: C27H29N5O6 MolecularWeight: 519.54906

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H29N5O6/c1-4-14-31-24-22(25(34)32(15-5-2)27(31)36)29-23(30-24)17-8-12-20(13-9-17)38-16-21(33)28-19-10-6-18(7-11-19)26(35)37-3/h6-13H,4-5,14-16H2,1-3H3,(H,28,33)(H,29,30)